2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol

C17H28N2O — CID 116694964

IUPAC2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol
SMILESCC1(C)CCCN(CCC(N)(CO)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-16(2)9-6-11-19(13-16)12-10-17(18,14-20)15-7-4-3-5-8-15/h3-5,7-8,20H,6,9-14,18H2,1-2H3
InChIKeyAXNMJCRCKSVRFI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.35
Rot. Bonds5

About 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol

2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol (PubChem CID 116694964) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol
PubChem CID116694964
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol
SMILESCC1(C)CCCN(CCC(N)(CO)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-16(2)9-6-11-19(13-16)12-10-17(18,14-20)15-7-4-3-5-8-15/h3-5,7-8,20H,6,9-14,18H2,1-2H3
InChIKeyAXNMJCRCKSVRFI-UHFFFAOYSA-N
XLogP2.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116695061
2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64797987
2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol
CID 116694950
2-amino-2-phenylpentan-1-ol
CID 61056433
3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol
CID 1286998
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693857
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695331
2-amino-4-(4-methylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695357
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
1-(azepan-1-yl)-2-phenylhexan-2-amine
CID 43829768

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol (CID 116694964) is 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol is CC1(C)CCCN(CCC(N)(CO)c2ccccc2)C1.
What is the InChIKey of 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol?
The InChIKey is AXNMJCRCKSVRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(2)9-6-11-19(13-16)12-10-17(18,14-20)15-7-4-3-5-8-15/h3-5,7-8,20H,6,9-14,18H2,1-2H3.
What are the key properties of 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol?
2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 116694964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).