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

C17H33N3 — CID 171359791

IUPAC1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine
SMILESC1CCN(C2(CNC[C@H]3CCCNC3)CCCC2)CC1
InChIInChI=1S/C17H33N3/c1-4-11-20(12-5-1)17(8-2-3-9-17)15-19-14-16-7-6-10-18-13-16/h16,18-19H,1-15H2/t16-/m0/s1
InChIKeyCGFBYWCPRIECNC-INIZCTEOSA-N
MW279.47 g/mol
LogP2.37
Rot. Bonds5

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

1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine (PubChem CID 171359791) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine
PubChem CID171359791
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine
SMILESC1CCN(C2(CNC[C@H]3CCCNC3)CCCC2)CC1
InChIInChI=1S/C17H33N3/c1-4-11-20(12-5-1)17(8-2-3-9-17)15-19-14-16-7-6-10-18-13-16/h16,18-19H,1-15H2/t16-/m0/s1
InChIKeyCGFBYWCPRIECNC-INIZCTEOSA-N
XLogP2.37
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine (CID 171359791) is 1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine is C1CCN(C2(CNC[C@H]3CCCNC3)CCCC2)CC1.
What is the InChIKey of 1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine?
The InChIKey is CGFBYWCPRIECNC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-11-20(12-5-1)17(8-2-3-9-17)15-19-14-16-7-6-10-18-13-16/h16,18-19H,1-15H2/t16-/m0/s1.
What are the key properties of 1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine?
1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine has a molecular weight of 279.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-piperidin-3-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 171359791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).