N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine

C17H29N3O — CID 62287493

IUPACN-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCCC(OCCC)C2)c1
InChIInChI=1S/C17H29N3O/c1-3-8-18-13-15-7-9-19-17(12-15)20-10-5-6-16(14-20)21-11-4-2/h7,9,12,16,18H,3-6,8,10-11,13-14H2,1-2H3
InChIKeyKFPCPMMSJVYOKF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.98
Rot. Bonds8

About N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine

N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 62287493) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID62287493
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCCC(OCCC)C2)c1
InChIInChI=1S/C17H29N3O/c1-3-8-18-13-15-7-9-19-17(12-15)20-10-5-6-16(14-20)21-11-4-2/h7,9,12,16,18H,3-6,8,10-11,13-14H2,1-2H3
InChIKeyKFPCPMMSJVYOKF-UHFFFAOYSA-N
XLogP2.98
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 55059346
N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62289099
N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62288558
N-[[2-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539900
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114412468
N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62285719
N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806713
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81143389
N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539400
N-[[6-(3-ethoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62287676
1-[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 81148807

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 62287493) is N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(N2CCCC(OCCC)C2)c1.
What is the InChIKey of N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is KFPCPMMSJVYOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-8-18-13-15-7-9-19-17(12-15)20-10-5-6-16(14-20)21-11-4-2/h7,9,12,16,18H,3-6,8,10-11,13-14H2,1-2H3.
What are the key properties of N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62287493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).