(2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one

C19H30N2O2 — CID 86784519

IUPAC(2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC(OCc2ccccc2C)CC1
InChIInChI=1S/C19H30N2O2/c1-4-14(2)18(20)19(22)21-11-9-17(10-12-21)23-13-16-8-6-5-7-15(16)3/h5-8,14,17-18H,4,9-13,20H2,1-3H3/t14-,18-/m0/s1
InChIKeyKVMZUEOXDHJBRC-KSSFIOAISA-N
MW318.46 g/mol
LogP2.88
Rot. Bonds6

About (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one

(2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one (PubChem CID 86784519) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one
PubChem CID86784519
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC(OCc2ccccc2C)CC1
InChIInChI=1S/C19H30N2O2/c1-4-14(2)18(20)19(22)21-11-9-17(10-12-21)23-13-16-8-6-5-7-15(16)3/h5-8,14,17-18H,4,9-13,20H2,1-3H3/t14-,18-/m0/s1
InChIKeyKVMZUEOXDHJBRC-KSSFIOAISA-N
XLogP2.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one with MolForge

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Related Compounds

2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one
CID 119810716
(5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 84593768
2-amino-3-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one;hydrochloride
CID 119780029
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-3-methyl-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pentan-1-one
CID 119734570
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 120873928
3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
2-amino-3-methyl-1-[4-(4-nitrophenoxy)piperidin-1-yl]pentan-1-one
CID 119802701
4-[(2-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807392
(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 67299766

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one (CID 86784519) is (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCC(OCc2ccccc2C)CC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one?
The InChIKey is KVMZUEOXDHJBRC-KSSFIOAISA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-14(2)18(20)19(22)21-11-9-17(10-12-21)23-13-16-8-6-5-7-15(16)3/h5-8,14,17-18H,4,9-13,20H2,1-3H3/t14-,18-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one?
(2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one has a molecular weight of 318.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-1-[4-[(2-methylphenyl)methoxy]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 86784519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).