1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol

C18H29NO2 — CID 111462788

IUPAC1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCC(c2ccccc2)C(C)C1
InChIInChI=1S/C18H29NO2/c1-14(2)21-13-17(20)12-19-10-9-18(15(3)11-19)16-7-5-4-6-8-16/h4-8,14-15,17-18,20H,9-13H2,1-3H3
InChIKeyPEHKWRNIEBRMGD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.90
Rot. Bonds6

About 1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol

1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 111462788) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID111462788
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCC(c2ccccc2)C(C)C1
InChIInChI=1S/C18H29NO2/c1-14(2)21-13-17(20)12-19-10-9-18(15(3)11-19)16-7-5-4-6-8-16/h4-8,14-15,17-18,20H,9-13H2,1-3H3
InChIKeyPEHKWRNIEBRMGD-UHFFFAOYSA-N
XLogP2.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462786
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
CID 145118724
1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol
CID 111858533
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63987603
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63989069
3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride
CID 119923167
4-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]butanoic acid
CID 124778661
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
ethyl (2R)-2-benzyl-3-[3-methyl-4-(3-propan-2-yloxyphenyl)piperidin-1-yl]propanoate
CID 158289763
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 110020401

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol (CID 111462788) is 1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN1CCC(c2ccccc2)C(C)C1.
What is the InChIKey of 1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is PEHKWRNIEBRMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)21-13-17(20)12-19-10-9-18(15(3)11-19)16-7-5-4-6-8-16/h4-8,14-15,17-18,20H,9-13H2,1-3H3.
What are the key properties of 1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol?
1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 111462788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).