(1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol

C14H27NO — CID 134931459

IUPAC(1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCCC2)C1
InChIInChI=1S/C14H27NO/c1-11(2)12-6-7-14(3,16)13(10-12)15-8-4-5-9-15/h11-13,16H,4-10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKeyOZBLCLLCKITQSC-RDBSUJKOSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds2

About (1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol

(1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol (PubChem CID 134931459) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
PubChem CID134931459
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCCC2)C1
InChIInChI=1S/C14H27NO/c1-11(2)12-6-7-14(3,16)13(10-12)15-8-4-5-9-15/h11-13,16H,4-10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKeyOZBLCLLCKITQSC-RDBSUJKOSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol (CID 134931459) is (1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCCC2)C1.
What is the InChIKey of (1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The InChIKey is OZBLCLLCKITQSC-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)12-6-7-14(3,16)13(10-12)15-8-4-5-9-15/h11-13,16H,4-10H2,1-3H3/t12-,13+,14+/m1/s1.
What are the key properties of (1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
(1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 134931459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).