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

C17H29N3O — CID 82888686

IUPACN-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(Cc2cc(OC)cc(C)n2)C1
InChIInChI=1S/C17H29N3O/c1-4-7-18-11-15-6-5-8-20(12-15)13-16-10-17(21-3)9-14(2)19-16/h9-10,15,18H,4-8,11-13H2,1-3H3
InChIKeyXWRFTBPCIVKTMJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.61
Rot. Bonds7

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

N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine (PubChem CID 82888686) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine
PubChem CID82888686
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(Cc2cc(OC)cc(C)n2)C1
InChIInChI=1S/C17H29N3O/c1-4-7-18-11-15-6-5-8-20(12-15)13-16-10-17(21-3)9-14(2)19-16/h9-10,15,18H,4-8,11-13H2,1-3H3
InChIKeyXWRFTBPCIVKTMJ-UHFFFAOYSA-N
XLogP2.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512310
2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-4-methoxy-6-methylpyridine
CID 114800491
4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
CID 82886408
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499067
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-propylpiperazine
CID 82895805
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 82893710
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 82893783
2-methoxy-N-[[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 63987091
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 82891992
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine (CID 82888686) is N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(Cc2cc(OC)cc(C)n2)C1.
What is the InChIKey of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is XWRFTBPCIVKTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-7-18-11-15-6-5-8-20(12-15)13-16-10-17(21-3)9-14(2)19-16/h9-10,15,18H,4-8,11-13H2,1-3H3.
What are the key properties of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine?
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 82888686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).