4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol

C14H27NO — CID 114762652

IUPAC4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCCC1(CC)CCN(C2CCC(O)CC2)C1
InChIInChI=1S/C14H27NO/c1-3-14(4-2)9-10-15(11-14)12-5-7-13(16)8-6-12/h12-13,16H,3-11H2,1-2H3
InChIKeyCDXVFVBELSHBJT-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds3

About 4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol

4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol (PubChem CID 114762652) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol
PubChem CID114762652
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol
SMILESCCC1(CC)CCN(C2CCC(O)CC2)C1
InChIInChI=1S/C14H27NO/c1-3-14(4-2)9-10-15(11-14)12-5-7-13(16)8-6-12/h12-13,16H,3-11H2,1-2H3
InChIKeyCDXVFVBELSHBJT-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol (CID 114762652) is 4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol is CCC1(CC)CCN(C2CCC(O)CC2)C1.
What is the InChIKey of 4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol?
The InChIKey is CDXVFVBELSHBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-14(4-2)9-10-15(11-14)12-5-7-13(16)8-6-12/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol?
4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 114762652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).