(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine

C15H22ClN3 — CID 126445475

IUPAC(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(C2CCN(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C15H22ClN3/c16-12-1-3-14(4-2-12)18-9-6-15(7-10-18)19-8-5-13(17)11-19/h1-4,13,15H,5-11,17H2/t13-/m1/s1
InChIKeyNIYWESKPHFFOIR-CYBMUJFWSA-N
MW279.81 g/mol
LogP2.34
Rot. Bonds2

About (3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine

(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine (PubChem CID 126445475) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is (3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine
PubChem CID126445475
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(C2CCN(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C15H22ClN3/c16-12-1-3-14(4-2-12)18-9-6-15(7-10-18)19-8-5-13(17)11-19/h1-4,13,15H,5-11,17H2/t13-/m1/s1
InChIKeyNIYWESKPHFFOIR-CYBMUJFWSA-N
XLogP2.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol
CID 141093177
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392
[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 45184102
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]aniline;methanethiol
CID 169149047
4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 114762371
1-(4-chlorophenyl)-4-(4-methylcyclohexyl)piperazine
CID 23856792
(1R,5S)-3-[1-(4-chlorophenyl)piperidin-4-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135097648
1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol
CID 159231607
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline
CID 169149133
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine (CID 126445475) is (3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine is N[C@@H]1CCN(C2CCN(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of (3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine?
The InChIKey is NIYWESKPHFFOIR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-12-1-3-14(4-2-12)18-9-6-15(7-10-18)19-8-5-13(17)11-19/h1-4,13,15H,5-11,17H2/t13-/m1/s1.
What are the key properties of (3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine?
(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine has a molecular weight of 279.81 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 126445475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).