1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol

C13H28N2O — CID 62263335

IUPAC1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
SMILESCC(C)NCC(C)(C)CN1CCC(O)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)14-9-13(3,4)10-15-7-5-12(16)6-8-15/h11-12,14,16H,5-10H2,1-4H3
InChIKeyNSCNPQSROHNOKQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds5

About 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol

1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol (PubChem CID 62263335) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
PubChem CID62263335
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
SMILESCC(C)NCC(C)(C)CN1CCC(O)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)14-9-13(3,4)10-15-7-5-12(16)6-8-15/h11-12,14,16H,5-10H2,1-4H3
InChIKeyNSCNPQSROHNOKQ-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62261469
2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
CID 62263437
1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol
CID 131923534
1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol
CID 65000596
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 63159907
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 94382986
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358633
[4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol
CID 81213628
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837804

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol?
The IUPAC name of 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol (CID 62263335) is 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol?
The canonical SMILES for 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol is CC(C)NCC(C)(C)CN1CCC(O)CC1.
What is the InChIKey of 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol?
The InChIKey is NSCNPQSROHNOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)14-9-13(3,4)10-15-7-5-12(16)6-8-15/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol?
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol is sourced from PubChem (CID 62263335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).