4-piperidin-2-yl-1-propan-2-ylazepan-4-ol

C14H28N2O — CID 65077274

IUPAC4-piperidin-2-yl-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(C2CCCCN2)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)16-10-5-7-14(17,8-11-16)13-6-3-4-9-15-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyJDSTTWVUSKIRKQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.75
Rot. Bonds2

About 4-piperidin-2-yl-1-propan-2-ylazepan-4-ol

4-piperidin-2-yl-1-propan-2-ylazepan-4-ol (PubChem CID 65077274) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-piperidin-2-yl-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-piperidin-2-yl-1-propan-2-ylazepan-4-ol
PubChem CID65077274
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-piperidin-2-yl-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(C2CCCCN2)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)16-10-5-7-14(17,8-11-16)13-6-3-4-9-15-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyJDSTTWVUSKIRKQ-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-2-yl)azepan-4-ol
CID 103982887
2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
CID 83669929
4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol
CID 65086095
1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol
CID 65095040
3-[(2R)-piperidin-2-yl]azetidin-3-ol
CID 89166884
4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol
CID 79907158
1-(azepan-2-yl)-4-propylcycloheptan-1-ol
CID 65090460
1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol
CID 59140145
3-amino-1-piperidin-2-ylcyclopentan-1-ol
CID 80562855
3-hydroxy-3-[(2S)-piperidin-2-yl]azetidine-1-carbaldehyde
CID 118421038
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-2-yl-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-piperidin-2-yl-1-propan-2-ylazepan-4-ol (CID 65077274) is 4-piperidin-2-yl-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-piperidin-2-yl-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-piperidin-2-yl-1-propan-2-ylazepan-4-ol is CC(C)N1CCCC(O)(C2CCCCN2)CC1.
What is the InChIKey of 4-piperidin-2-yl-1-propan-2-ylazepan-4-ol?
The InChIKey is JDSTTWVUSKIRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)16-10-5-7-14(17,8-11-16)13-6-3-4-9-15-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 4-piperidin-2-yl-1-propan-2-ylazepan-4-ol?
4-piperidin-2-yl-1-propan-2-ylazepan-4-ol has a molecular weight of 240.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-2-yl-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 65077274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).