N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine

C19H33N3 — CID 131921069

IUPACN-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCC2(N3CCCCC3)CCCC2)CC1
InChIInChI=1S/C19H33N3/c1-2-12-21-15-8-18(9-16-21)20-17-19(10-4-5-11-19)22-13-6-3-7-14-22/h1,18,20H,3-17H2
InChIKeyAKYABVMPLCBWQD-UHFFFAOYSA-N
MW303.49 g/mol
LogP2.47
Rot. Bonds5

About N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine

N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine (PubChem CID 131921069) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine
PubChem CID131921069
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC NameN-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCC2(N3CCCCC3)CCCC2)CC1
InChIInChI=1S/C19H33N3/c1-2-12-21-15-8-18(9-16-21)20-17-19(10-4-5-11-19)22-13-6-3-7-14-22/h1,18,20H,3-17H2
InChIKeyAKYABVMPLCBWQD-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 171359791
CID 171359791
CID 29548793
CID 29548793
CID 59639481
CID 59639481
CID 124015669
CID 124015669
CID 146649892
CID 146649892
CID 167222045
CID 167222045
CID 170708759
CID 170708759
CID 174179879
CID 174179879
CID 174302755
CID 174302755
CID 43308572
CID 43308572
CID 43749029
CID 43749029
CID 43749031
CID 43749031

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine (CID 131921069) is N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCC2(N3CCCCC3)CCCC2)CC1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is AKYABVMPLCBWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-2-12-21-15-8-18(9-16-21)20-17-19(10-4-5-11-19)22-13-6-3-7-14-22/h1,18,20H,3-17H2.
What are the key properties of N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 303.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclopentyl)methyl]-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 131921069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).