[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol

C20H32N2O2 — CID 97130641

IUPAC[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(C2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C20H32N2O2/c1-24-15-11-20(17-23)10-5-12-22(16-20)19-8-13-21(14-9-19)18-6-3-2-4-7-18/h2-4,6-7,19,23H,5,8-17H2,1H3/t20-/m0/s1
InChIKeyJIVKIYIMHCRWKJ-FQEVSTJZSA-N
MW332.49 g/mol
LogP2.77
Rot. Bonds6

About [(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol

[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol (PubChem CID 97130641) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is [(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol
PubChem CID97130641
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(C2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C20H32N2O2/c1-24-15-11-20(17-23)10-5-12-22(16-20)19-8-13-21(14-9-19)18-6-3-2-4-7-18/h2-4,6-7,19,23H,5,8-17H2,1H3/t20-/m0/s1
InChIKeyJIVKIYIMHCRWKJ-FQEVSTJZSA-N
XLogP2.77
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol
CID 97148823
[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol
CID 97140954
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 45171513
[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863715
[(3S)-3-(2-methoxyethyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 97113551
[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 97155834
6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 86282981
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72882518
[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 97134898
1-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 97117000
9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
CID 45222559

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol (CID 97130641) is [(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol is COCC[C@@]1(CO)CCCN(C2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is JIVKIYIMHCRWKJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-24-15-11-20(17-23)10-5-12-22(16-20)19-8-13-21(14-9-19)18-6-3-2-4-7-18/h2-4,6-7,19,23H,5,8-17H2,1H3/t20-/m0/s1.
What are the key properties of [(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol?
[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 332.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 97130641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).