[(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol

C17H28N2O2 — CID 71830135

IUPAC[(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCCOc1cccc(CN2CC[C@@H](N(C)C)[C@@H](CO)C2)c1
InChIInChI=1S/C17H28N2O2/c1-4-21-16-7-5-6-14(10-16)11-19-9-8-17(18(2)3)15(12-19)13-20/h5-7,10,15,17,20H,4,8-9,11-13H2,1-3H3/t15-,17-/m1/s1
InChIKeyJDXZBCBDMSVKMW-NVXWUHKLSA-N
MW292.42 g/mol
LogP1.83
Rot. Bonds6

About [(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol

[(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 71830135) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol
PubChem CID71830135
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCCOc1cccc(CN2CC[C@@H](N(C)C)[C@@H](CO)C2)c1
InChIInChI=1S/C17H28N2O2/c1-4-21-16-7-5-6-14(10-16)11-19-9-8-17(18(2)3)15(12-19)13-20/h5-7,10,15,17,20H,4,8-9,11-13H2,1-3H3/t15-,17-/m1/s1
InChIKeyJDXZBCBDMSVKMW-NVXWUHKLSA-N
XLogP1.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
1-[(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-4-ethylpiperazine
CID 124516544
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
[(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
CID 71836795
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
2-[(2R)-1-cyclopentyl-4-[(3-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51901392
3-[[(3S,4R)-3-(2-carboxyethyl)-4-(dimethylamino)piperidin-1-yl]methyl]benzoic acid
CID 133122833
[2-[(3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921720
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
1-[(3R)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400770

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol (CID 71830135) is [(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol is CCOc1cccc(CN2CC[C@@H](N(C)C)[C@@H](CO)C2)c1.
What is the InChIKey of [(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is JDXZBCBDMSVKMW-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-21-16-7-5-6-14(10-16)11-19-9-8-17(18(2)3)15(12-19)13-20/h5-7,10,15,17,20H,4,8-9,11-13H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of [(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol?
[(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 292.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 71830135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).