4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine

C14H22ClN3 — CID 60842133

IUPAC4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
SMILESCC(N)CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H22ClN3/c1-12(16)6-7-17-8-10-18(11-9-17)14-5-3-2-4-13(14)15/h2-5,12H,6-11,16H2,1H3
InChIKeyTVKCKAWDSCODQN-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.20
Rot. Bonds4

About 4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine

4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine (PubChem CID 60842133) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
PubChem CID60842133
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
SMILESCC(N)CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H22ClN3/c1-12(16)6-7-17-8-10-18(11-9-17)14-5-3-2-4-13(14)15/h2-5,12H,6-11,16H2,1H3
InChIKeyTVKCKAWDSCODQN-UHFFFAOYSA-N
XLogP2.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine
CID 144829981
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
CID 60854667
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
CID 62574171
3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
CID 43118133
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine (CID 60842133) is 4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine is CC(N)CCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine?
The InChIKey is TVKCKAWDSCODQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-12(16)6-7-17-8-10-18(11-9-17)14-5-3-2-4-13(14)15/h2-5,12H,6-11,16H2,1H3.
What are the key properties of 4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine?
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine is sourced from PubChem (CID 60842133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).