2-phenyl-2-piperidin-4-ylethanamine;hydrochloride

C13H21ClN2 — CID 67691179

IUPAC2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)C1CCNCC1
InChIInChI=1S/C13H20N2.ClH/c14-10-13(11-4-2-1-3-5-11)12-6-8-15-9-7-12;/h1-5,12-13,15H,6-10,14H2;1H
InChIKeyMKLLWOTZFVCZLE-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.15
Rot. Bonds3

About 2-phenyl-2-piperidin-4-ylethanamine;hydrochloride

2-phenyl-2-piperidin-4-ylethanamine;hydrochloride (PubChem CID 67691179) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 2-phenyl-2-piperidin-4-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
PubChem CID67691179
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)C1CCNCC1
InChIInChI=1S/C13H20N2.ClH/c14-10-13(11-4-2-1-3-5-11)12-6-8-15-9-7-12;/h1-5,12-13,15H,6-10,14H2;1H
InChIKeyMKLLWOTZFVCZLE-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57365234
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-phenyl-2-piperidin-4-ylethanol
CID 67125295
(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
CID 121454644
3-(2-amino-1-phenylethyl)piperidin-4-ol
CID 68810626
[4-[phenyl(piperidin-4-yl)methyl]phenyl]methanamine
CID 174413647
2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride
CID 88699147
4-[fluoro(phenyl)methyl]azepane
CID 84722518
phenyl(piperidin-4-yl)methanesulfonamide
CID 91511350
4-(4,4,4-triphenyl-1-piperidin-4-ylbutyl)phenol;hydrochloride
CID 70621006
4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
CID 175461872
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperidin-4-ylethanamine;hydrochloride?
The IUPAC name of 2-phenyl-2-piperidin-4-ylethanamine;hydrochloride (CID 67691179) is 2-phenyl-2-piperidin-4-ylethanamine;hydrochloride.
What is the SMILES notation for 2-phenyl-2-piperidin-4-ylethanamine;hydrochloride?
The canonical SMILES for 2-phenyl-2-piperidin-4-ylethanamine;hydrochloride is Cl.NCC(c1ccccc1)C1CCNCC1.
What is the InChIKey of 2-phenyl-2-piperidin-4-ylethanamine;hydrochloride?
The InChIKey is MKLLWOTZFVCZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.ClH/c14-10-13(11-4-2-1-3-5-11)12-6-8-15-9-7-12;/h1-5,12-13,15H,6-10,14H2;1H.
What are the key properties of 2-phenyl-2-piperidin-4-ylethanamine;hydrochloride?
2-phenyl-2-piperidin-4-ylethanamine;hydrochloride has a molecular weight of 240.78 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperidin-4-ylethanamine;hydrochloride is sourced from PubChem (CID 67691179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).