3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol

C14H29NO — CID 62330383

IUPAC3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol
SMILESCCCC(O)C(CC)N1CCC(C)CC1C
InChIInChI=1S/C14H29NO/c1-5-7-14(16)13(6-2)15-9-8-11(3)10-12(15)4/h11-14,16H,5-10H2,1-4H3
InChIKeyBGEQQKZEEUKYBU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds5

About 3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol

3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol (PubChem CID 62330383) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol
PubChem CID62330383
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol
SMILESCCCC(O)C(CC)N1CCC(C)CC1C
InChIInChI=1S/C14H29NO/c1-5-7-14(16)13(6-2)15-9-8-11(3)10-12(15)4/h11-14,16H,5-10H2,1-4H3
InChIKeyBGEQQKZEEUKYBU-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

2-(2,4-dimethylpiperidin-1-yl)-3-methylhexan-1-amine
CID 62331005
3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol
CID 83221502
2-(2,4-dimethylpiperidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 83054193
(2S,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
CID 177325259
(2R,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
CID 176766721
N-[2-(2,4-dimethylpiperidin-1-yl)propyl]pentan-3-amine
CID 62569003
N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine
CID 106223621
N-ethyl-1-hexan-3-yl-2-methylpiperidin-4-amine
CID 62117082
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
2-(2,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 62332099
4-(2,4-dimethylpiperidin-1-yl)pentan-2-amine
CID 64708883
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol (CID 62330383) is 3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol is CCCC(O)C(CC)N1CCC(C)CC1C.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol?
The InChIKey is BGEQQKZEEUKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-7-14(16)13(6-2)15-9-8-11(3)10-12(15)4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol?
3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol is sourced from PubChem (CID 62330383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).