(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine

C11H14Cl2N2 — CID 82038542

IUPAC(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H14Cl2N2/c12-10-4-3-9(6-11(10)13)15-5-1-2-8(14)7-15/h3-4,6,8H,1-2,5,7,14H2/t8-/m0/s1
InChIKeyNJLRPQXEJMDNFX-QMMMGPOBSA-N
MW245.15 g/mol
LogP2.92
Rot. Bonds1

About (3S)-1-(3,4-dichlorophenyl)piperidin-3-amine

(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine (PubChem CID 82038542) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is (3S)-1-(3,4-dichlorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
PubChem CID82038542
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H14Cl2N2/c12-10-4-3-9(6-11(10)13)15-5-1-2-8(14)7-15/h3-4,6,8H,1-2,5,7,14H2/t8-/m0/s1
InChIKeyNJLRPQXEJMDNFX-QMMMGPOBSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
3-(cyclopropylmethoxymethyl)-1-(3,4-dichlorophenyl)piperidine
CID 68824740
(3S)-1-(1,3-benzodioxol-5-yl)piperidin-3-amine
CID 82038534
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
CID 69206304
4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine
CID 130693092
1-[4-(methylamino)phenyl]piperidin-3-amine
CID 171622540
2-(3,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929688
1-(4-methylphenyl)azepan-3-amine
CID 84672656

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,4-dichlorophenyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(3,4-dichlorophenyl)piperidin-3-amine (CID 82038542) is (3S)-1-(3,4-dichlorophenyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(3,4-dichlorophenyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(3,4-dichlorophenyl)piperidin-3-amine is N[C@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3S)-1-(3,4-dichlorophenyl)piperidin-3-amine?
The InChIKey is NJLRPQXEJMDNFX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c12-10-4-3-9(6-11(10)13)15-5-1-2-8(14)7-15/h3-4,6,8H,1-2,5,7,14H2/t8-/m0/s1.
What are the key properties of (3S)-1-(3,4-dichlorophenyl)piperidin-3-amine?
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine has a molecular weight of 245.15 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,4-dichlorophenyl)piperidin-3-amine is sourced from PubChem (CID 82038542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).