(2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol

C18H30N2O2 — CID 97018679

IUPAC(2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CN(C)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H30N2O2/c1-15(2)22-14-18(21)13-19(3)17-10-7-11-20(12-17)16-8-5-4-6-9-16/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3/t17-,18+/m1/s1
InChIKeyWXMJKIZLHDSHLN-MSOLQXFVSA-N
MW306.45 g/mol
LogP2.37
Rot. Bonds7

About (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol

(2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 97018679) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID97018679
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CN(C)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C18H30N2O2/c1-15(2)22-14-18(21)13-19(3)17-10-7-11-20(12-17)16-8-5-4-6-9-16/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3/t17-,18+/m1/s1
InChIKeyWXMJKIZLHDSHLN-MSOLQXFVSA-N
XLogP2.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]-3-morpholin-4-ylpropan-2-ol
CID 124779951
(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 96998183
(2R)-1-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 124827378
1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111488970
1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60704158
1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol
CID 78896602
(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
CID 96567567
(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95334988
N-[2-(3-methylbutoxy)ethyl]-2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]acetamide
CID 95785653
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol
CID 111858533
N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide
CID 96522063

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol (CID 97018679) is (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@@H](O)CN(C)[C@@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is WXMJKIZLHDSHLN-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-15(2)22-14-18(21)13-19(3)17-10-7-11-20(12-17)16-8-5-4-6-9-16/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol?
(2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 306.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 97018679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).