4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine

C12H16Cl2N2 — CID 141012571

IUPAC4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine
SMILESNN1CCC(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2/c13-11-1-2-12(14)10(8-11)7-9-3-5-16(15)6-4-9/h1-2,8-9H,3-7,15H2
InChIKeyAJABUUVWDHMKEY-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.12
Rot. Bonds2

About 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine

4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine (PubChem CID 141012571) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine
PubChem CID141012571
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine
SMILESNN1CCC(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2/c13-11-1-2-12(14)10(8-11)7-9-3-5-16(15)6-4-9/h1-2,8-9H,3-7,15H2
InChIKeyAJABUUVWDHMKEY-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride
CID 154749832
4-[(2,5-dichlorophenyl)methyl]cyclohexan-1-one
CID 83261963
5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133485338
4-chloro-2-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 105482713
3-(4-chlorophenyl)-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
CID 23029870
3-cyclohexyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazolidin-2-one
CID 23029995
3-cyclohexyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
CID 23028986
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
5-chloro-2-(cyclohexylmethyl)aniline
CID 105481516
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 65321163
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine?
The IUPAC name of 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine (CID 141012571) is 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine?
The canonical SMILES for 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine is NN1CCC(Cc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine?
The InChIKey is AJABUUVWDHMKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-11-1-2-12(14)10(8-11)7-9-3-5-16(15)6-4-9/h1-2,8-9H,3-7,15H2.
What are the key properties of 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine?
4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine has a molecular weight of 259.18 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine is sourced from PubChem (CID 141012571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).