N-[(4-piperidin-3-ylphenyl)methyl]ethanamine

C14H22N2 — CID 116988263

IUPACN-[(4-piperidin-3-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C14H22N2/c1-2-15-10-12-5-7-13(8-6-12)14-4-3-9-16-11-14/h5-8,14-16H,2-4,9-11H2,1H3
InChIKeySLRMQMRZFRQVFV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.26
Rot. Bonds4

About N-[(4-piperidin-3-ylphenyl)methyl]ethanamine

N-[(4-piperidin-3-ylphenyl)methyl]ethanamine (PubChem CID 116988263) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(4-piperidin-3-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-piperidin-3-ylphenyl)methyl]ethanamine
PubChem CID116988263
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(4-piperidin-3-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C14H22N2/c1-2-15-10-12-5-7-13(8-6-12)14-4-3-9-16-11-14/h5-8,14-16H,2-4,9-11H2,1H3
InChIKeySLRMQMRZFRQVFV-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)azepane
CID 83819662
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
3-[4-(2,2-dimethylpropyl)phenyl]piperidine
CID 117335235
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
3-[4-(2-fluoropropyl)phenyl]piperidine
CID 84687072
3-(4-ethylsulfanylphenyl)piperidine
CID 82494383
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine
CID 116988181
3-[4-(2-methoxypropyl)phenyl]piperidine
CID 117339182
2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine
CID 115211361
3-(4-tert-butylphenyl)piperidine
CID 24904200

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-3-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-piperidin-3-ylphenyl)methyl]ethanamine (CID 116988263) is N-[(4-piperidin-3-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-piperidin-3-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-piperidin-3-ylphenyl)methyl]ethanamine is CCNCc1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-[(4-piperidin-3-ylphenyl)methyl]ethanamine?
The InChIKey is SLRMQMRZFRQVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-15-10-12-5-7-13(8-6-12)14-4-3-9-16-11-14/h5-8,14-16H,2-4,9-11H2,1H3.
What are the key properties of N-[(4-piperidin-3-ylphenyl)methyl]ethanamine?
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-3-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 116988263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).