4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine

C16H27N3 — CID 62469641

IUPAC4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN2CC(C)CC(C)C2)ccn1
InChIInChI=1S/C16H27N3/c1-4-6-17-16-9-15(5-7-18-16)12-19-10-13(2)8-14(3)11-19/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3,(H,17,18)
InChIKeyNXFWIJCRMNUUBH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.38
Rot. Bonds5

About 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine

4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 62469641) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID62469641
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN2CC(C)CC(C)C2)ccn1
InChIInChI=1S/C16H27N3/c1-4-6-17-16-9-15(5-7-18-16)12-19-10-13(2)8-14(3)11-19/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3,(H,17,18)
InChIKeyNXFWIJCRMNUUBH-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 55139785
1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one
CID 64693745
1-[[2-(propylamino)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 62471287
2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol
CID 82684948
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine
CID 62465994
3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one
CID 55234918
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 107394968
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-[[cyclopropyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075457
4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine
CID 114541916
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine (CID 62469641) is 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1cc(CN2CC(C)CC(C)C2)ccn1.
What is the InChIKey of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is NXFWIJCRMNUUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-6-17-16-9-15(5-7-18-16)12-19-10-13(2)8-14(3)11-19/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3,(H,17,18).
What are the key properties of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62469641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).