(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine

C17H27ClN2 — CID 78944491

IUPAC(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
SMILESCCC1(CC)CCN(c2ccc([C@H](C)N)cc2Cl)CC1
InChIInChI=1S/C17H27ClN2/c1-4-17(5-2)8-10-20(11-9-17)16-7-6-14(13(3)19)12-15(16)18/h6-7,12-13H,4-5,8-11,19H2,1-3H3/t13-/m0/s1
InChIKeyORBFXCOKQFMZNZ-ZDUSSCGKSA-N
MW294.87 g/mol
LogP4.77
Rot. Bonds4

About (1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine

(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 78944491) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
PubChem CID78944491
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
SMILESCCC1(CC)CCN(c2ccc([C@H](C)N)cc2Cl)CC1
InChIInChI=1S/C17H27ClN2/c1-4-17(5-2)8-10-20(11-9-17)16-7-6-14(13(3)19)12-15(16)18/h6-7,12-13H,4-5,8-11,19H2,1-3H3/t13-/m0/s1
InChIKeyORBFXCOKQFMZNZ-ZDUSSCGKSA-N
XLogP4.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine
CID 63532102
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
1-[3-chloro-4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]ethanamine
CID 107455865
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 78934855
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
4-[4-(1-aminoethyl)-2-chlorophenyl]piperazine-2,6-dione
CID 66083936
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114237230

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine (CID 78944491) is (1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine is CCC1(CC)CCN(c2ccc([C@H](C)N)cc2Cl)CC1.
What is the InChIKey of (1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is ORBFXCOKQFMZNZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-17(5-2)8-10-20(11-9-17)16-7-6-14(13(3)19)12-15(16)18/h6-7,12-13H,4-5,8-11,19H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 294.87 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78944491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).