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

C17H29N3 — CID 62285719

IUPACN-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCC(CCC)CC2)c1
InChIInChI=1S/C17H29N3/c1-3-5-15-7-11-20(12-8-15)17-13-16(6-10-19-17)14-18-9-4-2/h6,10,13,15,18H,3-5,7-9,11-12,14H2,1-2H3
InChIKeyHUKRBWSBZDZMGD-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.60
Rot. Bonds7

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

N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 62285719) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID62285719
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCC(CCC)CC2)c1
InChIInChI=1S/C17H29N3/c1-3-5-15-7-11-20(12-8-15)17-13-16(6-10-19-17)14-18-9-4-2/h6,10,13,15,18H,3-5,7-9,11-12,14H2,1-2H3
InChIKeyHUKRBWSBZDZMGD-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4,5-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-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62287493
N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62288369
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62284463
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62284718
1-[4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63169357
N-(1,3-benzodioxol-4-ylmethyl)-1-[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 163366697
N-[[2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62279976
2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine
CID 62091611

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 62285719) is N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(N2CCC(CCC)CC2)c1.
What is the InChIKey of N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is HUKRBWSBZDZMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-5-15-7-11-20(12-8-15)17-13-16(6-10-19-17)14-18-9-4-2/h6,10,13,15,18H,3-5,7-9,11-12,14H2,1-2H3.
What are the key properties of N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62285719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).