(4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol

C18H29NO — CID 79067862

IUPAC(4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol
SMILESCN(C)C1(C(O)c2ccc(C(C)(C)C)cc2)CCCC1
InChIInChI=1S/C18H29NO/c1-17(2,3)15-10-8-14(9-11-15)16(20)18(19(4)5)12-6-7-13-18/h8-11,16,20H,6-7,12-13H2,1-5H3
InChIKeyQOBIKTUACUPMJQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.89
Rot. Bonds3

About (4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol

(4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol (PubChem CID 79067862) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol
PubChem CID79067862
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol
SMILESCN(C)C1(C(O)c2ccc(C(C)(C)C)cc2)CCCC1
InChIInChI=1S/C18H29NO/c1-17(2,3)15-10-8-14(9-11-15)16(20)18(19(4)5)12-6-7-13-18/h8-11,16,20H,6-7,12-13H2,1-5H3
InChIKeyQOBIKTUACUPMJQ-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol?
The IUPAC name of (4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol (CID 79067862) is (4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol.
What is the SMILES notation for (4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol?
The canonical SMILES for (4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol is CN(C)C1(C(O)c2ccc(C(C)(C)C)cc2)CCCC1.
What is the InChIKey of (4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol?
The InChIKey is QOBIKTUACUPMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)15-10-8-14(9-11-15)16(20)18(19(4)5)12-6-7-13-18/h8-11,16,20H,6-7,12-13H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol?
(4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol has a molecular weight of 275.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol is sourced from PubChem (CID 79067862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).