1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine

C16H31N3 — CID 176629950

IUPAC1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine
SMILESCC(C)(C)N1CCC(C2(N3CCNCC3)CC2)CC1
InChIInChI=1S/C16H31N3/c1-15(2,3)18-10-4-14(5-11-18)16(6-7-16)19-12-8-17-9-13-19/h14,17H,4-13H2,1-3H3
InChIKeyOLUUYUGOKBKVNN-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds2

About 1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine

1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine (PubChem CID 176629950) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine.

Molecular Properties

Compound Name1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine
PubChem CID176629950
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine
SMILESCC(C)(C)N1CCC(C2(N3CCNCC3)CC2)CC1
InChIInChI=1S/C16H31N3/c1-15(2,3)18-10-4-14(5-11-18)16(6-7-16)19-12-8-17-9-13-19/h14,17H,4-13H2,1-3H3
InChIKeyOLUUYUGOKBKVNN-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine?
The IUPAC name of 1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine (CID 176629950) is 1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine.
What is the SMILES notation for 1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine?
The canonical SMILES for 1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine is CC(C)(C)N1CCC(C2(N3CCNCC3)CC2)CC1.
What is the InChIKey of 1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine?
The InChIKey is OLUUYUGOKBKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-15(2,3)18-10-4-14(5-11-18)16(6-7-16)19-12-8-17-9-13-19/h14,17H,4-13H2,1-3H3.
What are the key properties of 1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine?
1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine is sourced from PubChem (CID 176629950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).