N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine

C16H27N3O — CID 102967586

IUPACN-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(N2CCC(C)C(OC)C2)n1
InChIInChI=1S/C16H27N3O/c1-4-9-17-11-14-6-5-7-16(18-14)19-10-8-13(2)15(12-19)20-3/h5-7,13,15,17H,4,8-12H2,1-3H3
InChIKeyDCFWLSMRSNSUJI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds6

About N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 102967586) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID102967586
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(N2CCC(C)C(OC)C2)n1
InChIInChI=1S/C16H27N3O/c1-4-9-17-11-14-6-5-7-16(18-14)19-10-8-13(2)15(12-19)20-3/h5-7,13,15,17H,4,8-12H2,1-3H3
InChIKeyDCFWLSMRSNSUJI-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
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-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 102967645
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 102967632
N-[[6-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62972131
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine
CID 55054747
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968411
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 102967713
N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103539487
N-[[4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968519
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62282465
N,N-diethyl-1-[6-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 63169150
N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 63620272

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine (CID 102967586) is N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(N2CCC(C)C(OC)C2)n1.
What is the InChIKey of N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is DCFWLSMRSNSUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-17-11-14-6-5-7-16(18-14)19-10-8-13(2)15(12-19)20-3/h5-7,13,15,17H,4,8-12H2,1-3H3.
What are the key properties of N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 102967586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).