3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol

C14H28N2O — CID 114249762

IUPAC3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol
SMILESCCC1CCCN(C2CNCCC2(C)O)CC1
InChIInChI=1S/C14H28N2O/c1-3-12-5-4-9-16(10-6-12)13-11-15-8-7-14(13,2)17/h12-13,15,17H,3-11H2,1-2H3
InChIKeyBZXDMDNRBMFUFO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds2

About 3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol

3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol (PubChem CID 114249762) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol
PubChem CID114249762
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol
SMILESCCC1CCCN(C2CNCCC2(C)O)CC1
InChIInChI=1S/C14H28N2O/c1-3-12-5-4-9-16(10-6-12)13-11-15-8-7-14(13,2)17/h12-13,15,17H,3-11H2,1-2H3
InChIKeyBZXDMDNRBMFUFO-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-4-methylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide
CID 114249787
3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol
CID 130746790
4-ethyl-1-pyrrolidin-3-ylpiperidine
CID 62328798
1-(4-methylpiperidin-3-yl)-4-propylazepane
CID 66273079
trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol
CID 102734787
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853766
(3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
CID 87053309
3-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122767
6-(4-ethylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-ol
CID 79836829
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol (CID 114249762) is 3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol is CCC1CCCN(C2CNCCC2(C)O)CC1.
What is the InChIKey of 3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol?
The InChIKey is BZXDMDNRBMFUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-12-5-4-9-16(10-6-12)13-11-15-8-7-14(13,2)17/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol?
3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylazepan-1-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 114249762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).