(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine

C14H21ClN2 — CID 93489474

IUPAC(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN([C@H](CN)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-11-5-7-17(8-6-11)14(10-16)12-3-2-4-13(15)9-12/h2-4,9,11,14H,5-8,10,16H2,1H3/t14-/m1/s1
InChIKeyNTEWTZJJAKZOHV-CQSZACIVSA-N
MW252.79 g/mol
LogP3.07
Rot. Bonds3

About (2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine

(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 93489474) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID93489474
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN([C@H](CN)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-11-5-7-17(8-6-11)14(10-16)12-3-2-4-13(15)9-12/h2-4,9,11,14H,5-8,10,16H2,1H3/t14-/m1/s1
InChIKeyNTEWTZJJAKZOHV-CQSZACIVSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061
2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 79984630
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-chlorophenyl)ethanamine
CID 62773618
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238
1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 114081770
2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 63171639
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
[4-[2-amino-1-(3-chlorophenyl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932163

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of (2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 93489474) is (2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for (2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN([C@H](CN)c2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is NTEWTZJJAKZOHV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-5-7-17(8-6-11)14(10-16)12-3-2-4-13(15)9-12/h2-4,9,11,14H,5-8,10,16H2,1H3/t14-/m1/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 93489474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).