(1-heptan-4-ylpiperidin-4-yl)methanol

C13H27NO — CID 75398540

IUPAC(1-heptan-4-ylpiperidin-4-yl)methanol
SMILESCCCC(CCC)N1CCC(CO)CC1
InChIInChI=1S/C13H27NO/c1-3-5-13(6-4-2)14-9-7-12(11-15)8-10-14/h12-13,15H,3-11H2,1-2H3
InChIKeyINWDYYAXSXNOIB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds6

About (1-heptan-4-ylpiperidin-4-yl)methanol

(1-heptan-4-ylpiperidin-4-yl)methanol (PubChem CID 75398540) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (1-heptan-4-ylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(1-heptan-4-ylpiperidin-4-yl)methanol
PubChem CID75398540
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(1-heptan-4-ylpiperidin-4-yl)methanol
SMILESCCCC(CCC)N1CCC(CO)CC1
InChIInChI=1S/C13H27NO/c1-3-5-13(6-4-2)14-9-7-12(11-15)8-10-14/h12-13,15H,3-11H2,1-2H3
InChIKeyINWDYYAXSXNOIB-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-piperidinemethanol
CID 271971
Piperidinium, 1,1-dimethyl-4-(hydroxymethyl)-, iodide
CID 3025135
2-(1-Methylpiperidin-3-yl)ethan-1-ol
CID 21702803
1-(1-Ethylpiperidin-4-yl)ethan-1-ol
CID 588327
1,2,5-Trimethylpiperidin-4-ol
CID 4367834
1-Piperidineethanol, 5-ethyl-2-methyl-
CID 205792
[1-(Cyclopropylmethyl)piperidin-4-yl]methanol
CID 10035011
(1-Isopropylpiperidin-4-Yl)Methanol
CID 11147855
1-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 13266403
(1-Ethyl-4-piperidinyl)methanol
CID 15512642
3-(1-Methylpiperidin-4-yl)propan-1-ol
CID 15540677
(1,4-Dimethylpiperidin-4-yl)methanol
CID 20646825

Frequently Asked Questions

What is the IUPAC name of (1-heptan-4-ylpiperidin-4-yl)methanol?
The IUPAC name of (1-heptan-4-ylpiperidin-4-yl)methanol (CID 75398540) is (1-heptan-4-ylpiperidin-4-yl)methanol.
What is the SMILES notation for (1-heptan-4-ylpiperidin-4-yl)methanol?
The canonical SMILES for (1-heptan-4-ylpiperidin-4-yl)methanol is CCCC(CCC)N1CCC(CO)CC1.
What is the InChIKey of (1-heptan-4-ylpiperidin-4-yl)methanol?
The InChIKey is INWDYYAXSXNOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-13(6-4-2)14-9-7-12(11-15)8-10-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of (1-heptan-4-ylpiperidin-4-yl)methanol?
(1-heptan-4-ylpiperidin-4-yl)methanol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-heptan-4-ylpiperidin-4-yl)methanol is sourced from PubChem (CID 75398540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).