3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine

C14H24N4 — CID 62759298

IUPAC3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESCC1CCCCN1CCCNCc1ccncn1
InChIInChI=1S/C14H24N4/c1-13-5-2-3-9-18(13)10-4-7-15-11-14-6-8-16-12-17-14/h6,8,12-13,15H,2-5,7,9-11H2,1H3
InChIKeyCNZOUHDDWWEBED-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.83
Rot. Bonds6

About 3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine

3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine (PubChem CID 62759298) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
PubChem CID62759298
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESCC1CCCCN1CCCNCc1ccncn1
InChIInChI=1S/C14H24N4/c1-13-5-2-3-9-18(13)10-4-7-15-11-14-6-8-16-12-17-14/h6,8,12-13,15H,2-5,7,9-11H2,1H3
InChIKeyCNZOUHDDWWEBED-UHFFFAOYSA-N
XLogP1.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.83
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

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
3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 55248695
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 115523425
N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 55182404
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43217592
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82887683
2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115656614
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
N-[(3,4-difluorophenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43178246
N-[(1-ethylpyrrol-3-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 66397309
5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
CID 66340980

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine (CID 62759298) is 3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine is CC1CCCCN1CCCNCc1ccncn1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The InChIKey is CNZOUHDDWWEBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-13-5-2-3-9-18(13)10-4-7-15-11-14-6-8-16-12-17-14/h6,8,12-13,15H,2-5,7,9-11H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 62759298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).