(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol

C19H32N2O2 — CID 95889308

IUPAC(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol
SMILESCC(C)COc1cccc(CN2CCC[C@](O)(CN(C)C)C2)c1
InChIInChI=1S/C19H32N2O2/c1-16(2)13-23-18-8-5-7-17(11-18)12-21-10-6-9-19(22,15-21)14-20(3)4/h5,7-8,11,16,22H,6,9-10,12-15H2,1-4H3/t19-/m0/s1
InChIKeyWIEVBCSCBFUNAN-IBGZPJMESA-N
MW320.48 g/mol
LogP2.61
Rot. Bonds7

About (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol

(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol (PubChem CID 95889308) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol
PubChem CID95889308
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol
SMILESCC(C)COc1cccc(CN2CCC[C@](O)(CN(C)C)C2)c1
InChIInChI=1S/C19H32N2O2/c1-16(2)13-23-18-8-5-7-17(11-18)12-21-10-6-9-19(22,15-21)14-20(3)4/h5,7-8,11,16,22H,6,9-10,12-15H2,1-4H3/t19-/m0/s1
InChIKeyWIEVBCSCBFUNAN-IBGZPJMESA-N
XLogP2.61
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 95871785
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546
2-[[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]benzoic acid
CID 77081860
(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 95897724
(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol
CID 95882427
(1S,5R,6R)-3-[[3-(2-methylpropoxy)phenyl]methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137344488
1-[4-[[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 99932555
1-[[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]methyl]-3-(phenoxymethyl)piperidin-3-ol
CID 132766921
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol
CID 95721451
1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848162
(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol
CID 70943120
(3S)-N'-hydroxy-1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidine-3-carboximidamide
CID 125491998

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol?
The IUPAC name of (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol (CID 95889308) is (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol is CC(C)COc1cccc(CN2CCC[C@](O)(CN(C)C)C2)c1.
What is the InChIKey of (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol?
The InChIKey is WIEVBCSCBFUNAN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N2O2/c1-16(2)13-23-18-8-5-7-17(11-18)12-21-10-6-9-19(22,15-21)14-20(3)4/h5,7-8,11,16,22H,6,9-10,12-15H2,1-4H3/t19-/m0/s1.
What are the key properties of (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol?
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol has a molecular weight of 320.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropoxy)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 95889308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).