1-(1-heptylpiperidin-4-yl)ethanol

C14H29NO — CID 103688705

IUPAC1-(1-heptylpiperidin-4-yl)ethanol
SMILESCCCCCCCN1CCC(C(C)O)CC1
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-10-15-11-8-14(9-12-15)13(2)16/h13-14,16H,3-12H2,1-2H3
InChIKeyHSUPCBWCQKRHFB-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds7

About 1-(1-heptylpiperidin-4-yl)ethanol

1-(1-heptylpiperidin-4-yl)ethanol (PubChem CID 103688705) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(1-heptylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-heptylpiperidin-4-yl)ethanol
PubChem CID103688705
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(1-heptylpiperidin-4-yl)ethanol
SMILESCCCCCCCN1CCC(C(C)O)CC1
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-10-15-11-8-14(9-12-15)13(2)16/h13-14,16H,3-12H2,1-2H3
InChIKeyHSUPCBWCQKRHFB-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(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
1-(1-Propylpiperidin-3-yl)ethan-1-ol
CID 21317077

Frequently Asked Questions

What is the IUPAC name of 1-(1-heptylpiperidin-4-yl)ethanol?
The IUPAC name of 1-(1-heptylpiperidin-4-yl)ethanol (CID 103688705) is 1-(1-heptylpiperidin-4-yl)ethanol.
What is the SMILES notation for 1-(1-heptylpiperidin-4-yl)ethanol?
The canonical SMILES for 1-(1-heptylpiperidin-4-yl)ethanol is CCCCCCCN1CCC(C(C)O)CC1.
What is the InChIKey of 1-(1-heptylpiperidin-4-yl)ethanol?
The InChIKey is HSUPCBWCQKRHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-4-5-6-7-10-15-11-8-14(9-12-15)13(2)16/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 1-(1-heptylpiperidin-4-yl)ethanol?
1-(1-heptylpiperidin-4-yl)ethanol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-heptylpiperidin-4-yl)ethanol is sourced from PubChem (CID 103688705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).