1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol

C22H38N2O2 — CID 166238807

IUPAC1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
SMILESCC(C)(C)c1ccc(OCC(O)CNC2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C22H38N2O2/c1-21(2,3)17-7-9-20(10-8-17)26-16-19(25)15-23-18-11-13-24(14-12-18)22(4,5)6/h7-10,18-19,23,25H,11-16H2,1-6H3
InChIKeyONKSVXNIEMTBGS-UHFFFAOYSA-N
MW362.56 g/mol
LogP3.58
Rot. Bonds6

About 1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol

1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 166238807) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
PubChem CID166238807
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
SMILESCC(C)(C)c1ccc(OCC(O)CNC2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C22H38N2O2/c1-21(2,3)17-7-9-20(10-8-17)26-16-19(25)15-23-18-11-13-24(14-12-18)22(4,5)6/h7-10,18-19,23,25H,11-16H2,1-6H3
InChIKeyONKSVXNIEMTBGS-UHFFFAOYSA-N
XLogP3.58
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide
CID 166238845
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 61462344
1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4969396
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 103906834
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138958786

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol (CID 166238807) is 1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol is CC(C)(C)c1ccc(OCC(O)CNC2CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is ONKSVXNIEMTBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-21(2,3)17-7-9-20(10-8-17)26-16-19(25)15-23-18-11-13-24(14-12-18)22(4,5)6/h7-10,18-19,23,25H,11-16H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol?
1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 362.56 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 166238807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).