2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine

C14H23N3 — CID 60684733

IUPAC2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCN1CCCCC1CCNCc1ccncc1
InChIInChI=1S/C14H23N3/c1-17-11-3-2-4-14(17)7-10-16-12-13-5-8-15-9-6-13/h5-6,8-9,14,16H,2-4,7,10-12H2,1H3
InChIKeyWHKNDMLBWHIIFS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.05
Rot. Bonds5

About 2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine

2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 60684733) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID60684733
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCN1CCCCC1CCNCc1ccncc1
InChIInChI=1S/C14H23N3/c1-17-11-3-2-4-14(17)7-10-16-12-13-5-8-15-9-6-13/h5-6,8-9,14,16H,2-4,7,10-12H2,1H3
InChIKeyWHKNDMLBWHIIFS-UHFFFAOYSA-N
XLogP2.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
CID 107230971
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 60688002
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416479
3-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]benzonitrile
CID 55066732
N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 102569971
N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 114136966
N-[(5-bromothiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416869
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 55024503
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115656614
1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea
CID 119059632

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine (CID 60684733) is 2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine is CN1CCCCC1CCNCc1ccncc1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is WHKNDMLBWHIIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17-11-3-2-4-14(17)7-10-16-12-13-5-8-15-9-6-13/h5-6,8-9,14,16H,2-4,7,10-12H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 60684733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).