2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride

C14H24Cl2N2 — CID 17221509

IUPAC2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2.2ClH/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14;;/h1-5,13H,6-12,15H2;2*1H
InChIKeyRAYIZNFJPYNOLY-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.09
Rot. Bonds4

About 2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride

2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride (PubChem CID 17221509) has the molecular formula C14H24Cl2N2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
PubChem CID17221509
Molecular FormulaC14H24Cl2N2
Molecular Weight291.27 g/mol
Exact Mass290.13
IUPAC Name2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2.2ClH/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14;;/h1-5,13H,6-12,15H2;2*1H
InChIKeyRAYIZNFJPYNOLY-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 71321687
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832
5-(1-benzylpiperidin-4-yl)pentanethioamide
CID 139624929
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
CID 82667436
4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide
CID 86750726

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride (CID 17221509) is 2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride is Cl.Cl.NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride?
The InChIKey is RAYIZNFJPYNOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.2ClH/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14;;/h1-5,13H,6-12,15H2;2*1H.
What are the key properties of 2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride?
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride has a molecular weight of 291.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 17221509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).