N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride

C14H23ClN2 — CID 119929267

IUPACN-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
SMILESCCN(CC1CCCNC1)c1ccccc1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-2-16(14-8-4-3-5-9-14)12-13-7-6-10-15-11-13;/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3;1H
InChIKeyBMUSDBSGJXAAJI-UHFFFAOYSA-N
MW254.80 g/mol
LogP2.93
Rot. Bonds4

About N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride

N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride (PubChem CID 119929267) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
PubChem CID119929267
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
SMILESCCN(CC1CCCNC1)c1ccccc1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-2-16(14-8-4-3-5-9-14)12-13-7-6-10-15-11-13;/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3;1H
InChIKeyBMUSDBSGJXAAJI-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260
2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide
CID 106643533
N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643619
2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
CID 106643534
N-ethyl-3-iodo-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643390
3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile
CID 106643489
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride (CID 119929267) is N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride is CCN(CC1CCCNC1)c1ccccc1.Cl.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride?
The InChIKey is BMUSDBSGJXAAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-2-16(14-8-4-3-5-9-14)12-13-7-6-10-15-11-13;/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3;1H.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride?
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride has a molecular weight of 254.80 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride is sourced from PubChem (CID 119929267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).