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

C17H29N3O — CID 82887683

IUPACN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCOc1cc(C)nc(CNCCCN2CCCCC2C)c1
InChIInChI=1S/C17H29N3O/c1-14-11-17(21-3)12-16(19-14)13-18-8-6-10-20-9-5-4-7-15(20)2/h11-12,15,18H,4-10,13H2,1-3H3
InChIKeyDOUXCCSMNFBBLS-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.75
Rot. Bonds7

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

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 82887683) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID82887683
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCOc1cc(C)nc(CNCCCN2CCCCC2C)c1
InChIInChI=1S/C17H29N3O/c1-14-11-17(21-3)12-16(19-14)13-18-8-6-10-20-9-5-4-7-15(20)2/h11-12,15,18H,4-10,13H2,1-3H3
InChIKeyDOUXCCSMNFBBLS-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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-fluoro-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 102876221
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 64539096
3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759298
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde
CID 82896519
N-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43224374
2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 43178235
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbonitrile
CID 82892857
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 82893914
3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 55248695

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine (CID 82887683) is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine is COc1cc(C)nc(CNCCCN2CCCCC2C)c1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is DOUXCCSMNFBBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14-11-17(21-3)12-16(19-14)13-18-8-6-10-20-9-5-4-7-15(20)2/h11-12,15,18H,4-10,13H2,1-3H3.
What are the key properties of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 82887683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).