9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine

C60H120N8O2 — CID 158129505

IUPAC9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine
SMILESCC1CCN(CC2CCN(C(C)C)CC2)CC1.CC1CCN(CCOC2CCN(C(C)C)CC2)CC1.CCN1CCC(OC2CCN(C(C)C)CC2)CC1.CCN1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C16H32N2O.C15H30N2O.C15H30N2.C14H28N2/c1-14(2)18-10-6-16(7-11-18)19-13-12-17-8-4-15(3)5-9-17;1-4-16-9-5-14(6-10-16)18-15-7-11-17(12-8-15)13(2)3;1-13(2)17-10-6-15(7-11-17)12-16-8-4-14(3)5-9-16;1-4-15-9-5-14(6-10-15)7-11-16(12-8-14)13(2)3/h14-16H,4-13H2,1-3H3;13-15H,4-12H2,1-3H3;13-15H,4-12H2,1-3H3;13H,4-12H2,1-3H3
InChIKeyFSPDELHMLPPXCQ-UHFFFAOYSA-N
MW985.67 g/mol
LogP10.40
Rot. Bonds14

About 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine

9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine (PubChem CID 158129505) has the molecular formula C60H120N8O2 and a molecular weight of 985.67 g/mol. Its IUPAC name is 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine
PubChem CID158129505
Molecular FormulaC60H120N8O2
Molecular Weight985.67 g/mol
Exact Mass984.95
IUPAC Name9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine
SMILESCC1CCN(CC2CCN(C(C)C)CC2)CC1.CC1CCN(CCOC2CCN(C(C)C)CC2)CC1.CCN1CCC(OC2CCN(C(C)C)CC2)CC1.CCN1CCC2(CC1)CCN(C(C)C)CC2
InChIInChI=1S/C16H32N2O.C15H30N2O.C15H30N2.C14H28N2/c1-14(2)18-10-6-16(7-11-18)19-13-12-17-8-4-15(3)5-9-17;1-4-16-9-5-14(6-10-16)18-15-7-11-17(12-8-15)13(2)3;1-13(2)17-10-6-15(7-11-17)12-16-8-4-14(3)5-9-16;1-4-15-9-5-14(6-10-15)7-11-16(12-8-14)13(2)3/h14-16H,4-13H2,1-3H3;13-15H,4-12H2,1-3H3;13-15H,4-12H2,1-3H3;13H,4-12H2,1-3H3
InChIKeyFSPDELHMLPPXCQ-UHFFFAOYSA-N
XLogP10.40
TPSA44.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.67
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine?
The IUPAC name of 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine (CID 158129505) is 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine.
What is the SMILES notation for 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine?
The canonical SMILES for 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine is CC1CCN(CC2CCN(C(C)C)CC2)CC1.CC1CCN(CCOC2CCN(C(C)C)CC2)CC1.CCN1CCC(OC2CCN(C(C)C)CC2)CC1.CCN1CCC2(CC1)CCN(C(C)C)CC2.
What is the InChIKey of 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine?
The InChIKey is FSPDELHMLPPXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.C15H30N2O.C15H30N2.C14H28N2/c1-14(2)18-10-6-16(7-11-18)19-13-12-17-8-4-15(3)5-9-17;1-4-16-9-5-14(6-10-16)18-15-7-11-17(12-8-15)13(2)3;1-13(2)17-10-6-15(7-11-17)12-16-8-4-14(3)5-9-16;1-4-15-9-5-14(6-10-15)7-11-16(12-8-14)13(2)3/h14-16H,4-13H2,1-3H3;13-15H,4-12H2,1-3H3;13-15H,4-12H2,1-3H3;13H,4-12H2,1-3H3.
What are the key properties of 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine?
9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine has a molecular weight of 985.67 g/mol, XLogP of 10.40, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperidine is sourced from PubChem (CID 158129505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).