(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride

C17H26Cl2N2O — CID 67299766

IUPAC(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
SMILESCC[C@@H](C)[C@@H](N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-3-12(2)16(19)17(21)20-10-8-14(9-11-20)13-4-6-15(18)7-5-13;/h4-7,12,14,16H,3,8-11,19H2,1-2H3;1H/t12-,16-;/m1./s1
InChIKeyZCCFEQMWXOTXPG-VQZRABBESA-N
MW345.31 g/mol
LogP3.84
Rot. Bonds4

About (2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride

(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride (PubChem CID 67299766) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is (2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
PubChem CID67299766
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
SMILESCC[C@@H](C)[C@@H](N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-3-12(2)16(19)17(21)20-10-8-14(9-11-20)13-4-6-15(18)7-5-13;/h4-7,12,14,16H,3,8-11,19H2,1-2H3;1H/t12-,16-;/m1./s1
InChIKeyZCCFEQMWXOTXPG-VQZRABBESA-N
XLogP3.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 60963891
(2S,3S)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperidin-1-yl]-3-methylpentan-1-one
CID 139368830
N-[(2R,3R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-methylbutanamide
CID 71457362
2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
CID 76725285
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenylacetamide
CID 76725466
2-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481433
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one
CID 142781615
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride?
The IUPAC name of (2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride (CID 67299766) is (2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride.
What is the SMILES notation for (2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride?
The canonical SMILES for (2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride is CC[C@@H](C)[C@@H](N)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of (2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride?
The InChIKey is ZCCFEQMWXOTXPG-VQZRABBESA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c1-3-12(2)16(19)17(21)20-10-8-14(9-11-20)13-4-6-15(18)7-5-13;/h4-7,12,14,16H,3,8-11,19H2,1-2H3;1H/t12-,16-;/m1./s1.
What are the key properties of (2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride?
(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride has a molecular weight of 345.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 67299766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).