(1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol

C16H29NO — CID 59881053

IUPAC(1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@H]1CC[C@@](C)(O)[C@H](N2CCC(C)CC2)C1
InChIInChI=1S/C16H29NO/c1-12(2)14-5-8-16(4,18)15(11-14)17-9-6-13(3)7-10-17/h13-15,18H,1,5-11H2,2-4H3/t14-,15+,16+/m0/s1
InChIKeyOBHGPHSBWYXQCK-ARFHVFGLSA-N
MW251.41 g/mol
LogP3.21
Rot. Bonds2

About (1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol

(1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 59881053) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID59881053
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@H]1CC[C@@](C)(O)[C@H](N2CCC(C)CC2)C1
InChIInChI=1S/C16H29NO/c1-12(2)14-5-8-16(4,18)15(11-14)17-9-6-13(3)7-10-17/h13-15,18H,1,5-11H2,2-4H3/t14-,15+,16+/m0/s1
InChIKeyOBHGPHSBWYXQCK-ARFHVFGLSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol (CID 59881053) is (1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@H]1CC[C@@](C)(O)[C@H](N2CCC(C)CC2)C1.
What is the InChIKey of (1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is OBHGPHSBWYXQCK-ARFHVFGLSA-N. The full InChI is InChI=1S/C16H29NO/c1-12(2)14-5-8-16(4,18)15(11-14)17-9-6-13(3)7-10-17/h13-15,18H,1,5-11H2,2-4H3/t14-,15+,16+/m0/s1.
What are the key properties of (1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
(1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-1-methyl-2-(4-methylpiperidin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 59881053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).