1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine

C13H19ClN2 — CID 43130879

IUPAC1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
SMILESCC(c1ccc(Cl)cc1)N1CCC(N)CC1
InChIInChI=1S/C13H19ClN2/c1-10(11-2-4-12(14)5-3-11)16-8-6-13(15)7-9-16/h2-5,10,13H,6-9,15H2,1H3
InChIKeyNJQZXQHSCQPLRP-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.82
Rot. Bonds2

About 1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine

1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine (PubChem CID 43130879) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
PubChem CID43130879
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
SMILESCC(c1ccc(Cl)cc1)N1CCC(N)CC1
InChIInChI=1S/C13H19ClN2/c1-10(11-2-4-12(14)5-3-11)16-8-6-13(15)7-9-16/h2-5,10,13H,6-9,15H2,1H3
InChIKeyNJQZXQHSCQPLRP-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119908451
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
CID 119908754
1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine
CID 95347302
1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine
CID 104973645
ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate
CID 60561773
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide
CID 60560934
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine (CID 43130879) is 1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine is CC(c1ccc(Cl)cc1)N1CCC(N)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine?
The InChIKey is NJQZXQHSCQPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10(11-2-4-12(14)5-3-11)16-8-6-13(15)7-9-16/h2-5,10,13H,6-9,15H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine?
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine has a molecular weight of 238.76 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 43130879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).