(3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid

C15H22N2O4 — CID 22877802

IUPAC(3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid
SMILESCO[C@H]1CN(C(=O)O)CC[C@H]1NC(CO)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-21-14-9-17(15(19)20)8-7-12(14)16-13(10-18)11-5-3-2-4-6-11/h2-6,12-14,16,18H,7-10H2,1H3,(H,19,20)/t12-,13?,14+/m1/s1
InChIKeyZFXOLRSUCGLQPO-YIOYIWSBSA-N
MW294.35 g/mol
LogP1.08
Rot. Bonds5

About (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid

(3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid (PubChem CID 22877802) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid
PubChem CID22877802
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid
SMILESCO[C@H]1CN(C(=O)O)CC[C@H]1NC(CO)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-21-14-9-17(15(19)20)8-7-12(14)16-13(10-18)11-5-3-2-4-6-11/h2-6,12-14,16,18H,7-10H2,1H3,(H,19,20)/t12-,13?,14+/m1/s1
InChIKeyZFXOLRSUCGLQPO-YIOYIWSBSA-N
XLogP1.08
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid with MolForge

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Related Compounds

bis[(3S,4R)-3-methoxy-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carbonyl] butanedioate
CID 135283675
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 67914576
N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768402
3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid
CID 170313821
4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
CID 141023299
(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol
CID 107862265
benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate
CID 140558127
(3R,4S)-4-(dibenzylamino)-3-methoxypiperidine-1-carboxylic acid
CID 70048023
3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid
CID 23157065
(3R,4S)-3-ethoxycarbonyl-4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 170313768
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid (CID 22877802) is (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid is CO[C@H]1CN(C(=O)O)CC[C@H]1NC(CO)c1ccccc1.
What is the InChIKey of (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid?
The InChIKey is ZFXOLRSUCGLQPO-YIOYIWSBSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-14-9-17(15(19)20)8-7-12(14)16-13(10-18)11-5-3-2-4-6-11/h2-6,12-14,16,18H,7-10H2,1H3,(H,19,20)/t12-,13?,14+/m1/s1.
What are the key properties of (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid?
(3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 22877802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).