N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride

C21H29ClN2 — CID 14096838

IUPACN-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
SMILESCl.c1ccc(CNCCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2.ClH/c1-3-7-20(8-4-1)17-22-14-11-19-12-15-23(16-13-19)18-21-9-5-2-6-10-21;/h1-10,19,22H,11-18H2;1H
InChIKeyMCRPIIGKVJFATB-UHFFFAOYSA-N
MW344.93 g/mol
LogP4.50
Rot. Bonds7

About N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride

N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride (PubChem CID 14096838) has the molecular formula C21H29ClN2 and a molecular weight of 344.93 g/mol. Its IUPAC name is N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
PubChem CID14096838
Molecular FormulaC21H29ClN2
Molecular Weight344.93 g/mol
Exact Mass344.20
IUPAC NameN-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
SMILESCl.c1ccc(CNCCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2.ClH/c1-3-7-20(8-4-1)17-22-14-11-19-12-15-23(16-13-19)18-21-9-5-2-6-10-21;/h1-10,19,22H,11-18H2;1H
InChIKeyMCRPIIGKVJFATB-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.93
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-fluorophenyl)thiourea
CID 10044752
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-4-ylthiourea
CID 10066740
3-[[2-(1-benzylpiperidin-4-yl)ethylamino]methyl]-5-methyl-1-benzothiophene-2-carboxylic acid
CID 56976032
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline
CID 54330265
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-3-ylthiourea
CID 10316141
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride?
The IUPAC name of N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride (CID 14096838) is N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride?
The canonical SMILES for N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride is Cl.c1ccc(CNCCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride?
The InChIKey is MCRPIIGKVJFATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2.ClH/c1-3-7-20(8-4-1)17-22-14-11-19-12-15-23(16-13-19)18-21-9-5-2-6-10-21;/h1-10,19,22H,11-18H2;1H.
What are the key properties of N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride?
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 14096838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).