(1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol

C16H27NO — CID 141454595

IUPAC(1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol
SMILESCCC[C@@H](O)C1(C2CCCCN2)C=CC=C(C)C1
InChIInChI=1S/C16H27NO/c1-3-7-15(18)16(10-6-8-13(2)12-16)14-9-4-5-11-17-14/h6,8,10,14-15,17-18H,3-5,7,9,11-12H2,1-2H3/t14?,15-,16?/m1/s1
InChIKeySMUMZALRBCNUHY-HWOWSKLDSA-N
MW249.40 g/mol
LogP3.18
Rot. Bonds4

About (1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol

(1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol (PubChem CID 141454595) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol.

Molecular Properties

Compound Name(1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol
PubChem CID141454595
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol
SMILESCCC[C@@H](O)C1(C2CCCCN2)C=CC=C(C)C1
InChIInChI=1S/C16H27NO/c1-3-7-15(18)16(10-6-8-13(2)12-16)14-9-4-5-11-17-14/h6,8,10,14-15,17-18H,3-5,7,9,11-12H2,1-2H3/t14?,15-,16?/m1/s1
InChIKeySMUMZALRBCNUHY-HWOWSKLDSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol?
The IUPAC name of (1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol (CID 141454595) is (1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol.
What is the SMILES notation for (1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol?
The canonical SMILES for (1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol is CCC[C@@H](O)C1(C2CCCCN2)C=CC=C(C)C1.
What is the InChIKey of (1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol?
The InChIKey is SMUMZALRBCNUHY-HWOWSKLDSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-7-15(18)16(10-6-8-13(2)12-16)14-9-4-5-11-17-14/h6,8,10,14-15,17-18H,3-5,7,9,11-12H2,1-2H3/t14?,15-,16?/m1/s1.
What are the key properties of (1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol?
(1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol is sourced from PubChem (CID 141454595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).