1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride

C12H19Cl3N2 — CID 22748853

IUPAC1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2.2ClH/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15;;/h1-3,8,12H,4-7,9,14H2;2*1H
InChIKeyHNLWOBPXMQWXKZ-UHFFFAOYSA-N
MW297.66 g/mol
LogP3.11
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride

1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride (PubChem CID 22748853) has the molecular formula C12H19Cl3N2 and a molecular weight of 297.66 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride
PubChem CID22748853
Molecular FormulaC12H19Cl3N2
Molecular Weight297.66 g/mol
Exact Mass296.06
IUPAC Name1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2.2ClH/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15;;/h1-3,8,12H,4-7,9,14H2;2*1H
InChIKeyHNLWOBPXMQWXKZ-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride (CID 22748853) is 1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride?
The InChIKey is HNLWOBPXMQWXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.2ClH/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15;;/h1-3,8,12H,4-7,9,14H2;2*1H.
What are the key properties of 1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride?
1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 297.66 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 22748853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).