N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine

C17H28ClN3 — CID 103503053

IUPACN-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CCC(C(C)C)CC2)ncc1Cl
InChIInChI=1S/C17H28ClN3/c1-4-7-19-11-15-10-17(20-12-16(15)18)21-8-5-14(6-9-21)13(2)3/h10,12-14,19H,4-9,11H2,1-3H3
InChIKeyCJYSYDZFMOAQCN-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.11
Rot. Bonds6

About N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 103503053) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID103503053
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC NameN-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CCC(C(C)C)CC2)ncc1Cl
InChIInChI=1S/C17H28ClN3/c1-4-7-19-11-15-10-17(20-12-16(15)18)21-8-5-14(6-9-21)13(2)3/h10,12-14,19H,4-9,11H2,1-3H3
InChIKeyCJYSYDZFMOAQCN-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.11
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-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114926213
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114926217
[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114927096
N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine
CID 114926315
N-[[5-chloro-2-(3-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927110
N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
CID 114927711
N-[[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926598
N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114925992
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499433

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 103503053) is N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(N2CCC(C(C)C)CC2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is CJYSYDZFMOAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-4-7-19-11-15-10-17(20-12-16(15)18)21-8-5-14(6-9-21)13(2)3/h10,12-14,19H,4-9,11H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 309.89 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 103503053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).