(2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine

C68H144N8O4 — CID 159429058

IUPAC(2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine
SMILESCC(C)(C)[C@@H]1CCCCN1.CC(C)(C)[C@@H]1CCCCO1.CC(C)(C)[C@@H]1CCCNC1.CC(C)(C)[C@@H]1CCCOC1.CC(C)(C)[C@@H]1CNCCN1.CC(C)(C)[C@@H]1COCCN1.CC(C)(C)[C@H]1CNCCN1.CC(C)(C)[C@H]1CNCCO1
InChIInChI=1S/2C9H19N.2C9H18O.2C8H18N2.2C8H17NO/c1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-6-10-5-4-9-7;1-8(2,3)7-6-9-4-5-10-7/h2*8,10H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;2*7,9-10H,4-6H2,1-3H3;2*7,9H,4-6H2,1-3H3/t4*8-;4*7-/m10101001/s1
InChIKeyLQTDERWRSLOCED-FEABTXLCSA-N
MW1137.95 g/mol
LogP12.50
Rot. Bonds

About (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine

(2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine (PubChem CID 159429058) has the molecular formula C68H144N8O4 and a molecular weight of 1137.95 g/mol. Its IUPAC name is (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine.

Molecular Properties

Compound Name(2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine
PubChem CID159429058
Molecular FormulaC68H144N8O4
Molecular Weight1137.95 g/mol
Exact Mass1137.13
IUPAC Name(2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine
SMILESCC(C)(C)[C@@H]1CCCCN1.CC(C)(C)[C@@H]1CCCCO1.CC(C)(C)[C@@H]1CCCNC1.CC(C)(C)[C@@H]1CCCOC1.CC(C)(C)[C@@H]1CNCCN1.CC(C)(C)[C@@H]1COCCN1.CC(C)(C)[C@H]1CNCCN1.CC(C)(C)[C@H]1CNCCO1
InChIInChI=1S/2C9H19N.2C9H18O.2C8H18N2.2C8H17NO/c1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-6-10-5-4-9-7;1-8(2,3)7-6-9-4-5-10-7/h2*8,10H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;2*7,9-10H,4-6H2,1-3H3;2*7,9H,4-6H2,1-3H3/t4*8-;4*7-/m10101001/s1
InChIKeyLQTDERWRSLOCED-FEABTXLCSA-N
XLogP12.50
TPSA133.16 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001137.95
LogP ≤ 512.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine?
The IUPAC name of (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine (CID 159429058) is (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine.
What is the SMILES notation for (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine?
The canonical SMILES for (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine is CC(C)(C)[C@@H]1CCCCN1.CC(C)(C)[C@@H]1CCCCO1.CC(C)(C)[C@@H]1CCCNC1.CC(C)(C)[C@@H]1CCCOC1.CC(C)(C)[C@@H]1CNCCN1.CC(C)(C)[C@@H]1COCCN1.CC(C)(C)[C@H]1CNCCN1.CC(C)(C)[C@H]1CNCCO1.
What is the InChIKey of (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine?
The InChIKey is LQTDERWRSLOCED-FEABTXLCSA-N. The full InChI is InChI=1S/2C9H19N.2C9H18O.2C8H18N2.2C8H17NO/c1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-6-10-5-4-9-7;1-8(2,3)7-6-9-4-5-10-7/h2*8,10H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;2*7,9-10H,4-6H2,1-3H3;2*7,9H,4-6H2,1-3H3/t4*8-;4*7-/m10101001/s1.
What are the key properties of (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine?
(2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine has a molecular weight of 1137.95 g/mol, XLogP of 12.50, 0 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butylmorpholine;(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(3S)-3-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(3S)-3-tert-butylpiperidine is sourced from PubChem (CID 159429058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).