1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine

C18H35N3 — CID 80553494

IUPAC1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
SMILESC1CCN(C2(CNCC3CCCNC3)CCCCC2)CC1
InChIInChI=1S/C18H35N3/c1-3-9-18(10-4-1,21-12-5-2-6-13-21)16-20-15-17-8-7-11-19-14-17/h17,19-20H,1-16H2
InChIKeyKTRONIPCNGRWDC-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.76
Rot. Bonds5

About 1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine

1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine (PubChem CID 80553494) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
PubChem CID80553494
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
SMILESC1CCN(C2(CNCC3CCCNC3)CCCCC2)CC1
InChIInChI=1S/C18H35N3/c1-3-9-18(10-4-1,21-12-5-2-6-13-21)16-20-15-17-8-7-11-19-14-17/h17,19-20H,1-16H2
InChIKeyKTRONIPCNGRWDC-UHFFFAOYSA-N
XLogP2.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine (CID 80553494) is 1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine is C1CCN(C2(CNCC3CCCNC3)CCCCC2)CC1.
What is the InChIKey of 1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The InChIKey is KTRONIPCNGRWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-3-9-18(10-4-1,21-12-5-2-6-13-21)16-20-15-17-8-7-11-19-14-17/h17,19-20H,1-16H2.
What are the key properties of 1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine has a molecular weight of 293.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 80553494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).