(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine

C18H22ClN3 — CID 9161222

IUPAC(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
SMILESNC[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H22ClN3/c19-16-7-4-8-17(13-16)21-9-11-22(12-10-21)18(14-20)15-5-2-1-3-6-15/h1-8,13,18H,9-12,14,20H2/t18-/m0/s1
InChIKeyOTWYYBMODBKOQM-SFHVURJKSA-N
MW315.85 g/mol
LogP3.16
Rot. Bonds4

About (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine

(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine (PubChem CID 9161222) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
PubChem CID9161222
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
SMILESNC[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H22ClN3/c19-16-7-4-8-17(13-16)21-9-11-22(12-10-21)18(14-20)15-5-2-1-3-6-15/h1-8,13,18H,9-12,14,20H2/t18-/m0/s1
InChIKeyOTWYYBMODBKOQM-SFHVURJKSA-N
XLogP3.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
CID 43100105
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
CID 9161313
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
CID 9161262
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
CID 9161266
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-chlorophenyl)ethanamine
CID 62773618
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpropane-1,3-dione
CID 3394778
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 55069987

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine?
The IUPAC name of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine (CID 9161222) is (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine.
What is the SMILES notation for (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine?
The canonical SMILES for (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine is NC[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine?
The InChIKey is OTWYYBMODBKOQM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22ClN3/c19-16-7-4-8-17(13-16)21-9-11-22(12-10-21)18(14-20)15-5-2-1-3-6-15/h1-8,13,18H,9-12,14,20H2/t18-/m0/s1.
What are the key properties of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine?
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine has a molecular weight of 315.85 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine is sourced from PubChem (CID 9161222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).