1-(4-tert-butylpiperidin-1-yl)pentan-2-ol

C14H29NO — CID 62090229

IUPAC1-(4-tert-butylpiperidin-1-yl)pentan-2-ol
SMILESCCCC(O)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-6-13(16)11-15-9-7-12(8-10-15)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyHHWKLQLOXVOOJC-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-tert-butylpiperidin-1-yl)pentan-2-ol

1-(4-tert-butylpiperidin-1-yl)pentan-2-ol (PubChem CID 62090229) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)pentan-2-ol
PubChem CID62090229
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(4-tert-butylpiperidin-1-yl)pentan-2-ol
SMILESCCCC(O)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-6-13(16)11-15-9-7-12(8-10-15)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyHHWKLQLOXVOOJC-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164
1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991971
1-(4-propylpiperazin-1-yl)pentan-2-ol
CID 62043435
1-(3-methoxypyrrolidin-1-yl)pentan-2-ol
CID 103537643
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 113317564
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
1-(4-tert-butylpiperidin-1-yl)-N-methylpropan-2-amine
CID 62089869
N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine
CID 55070199
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate
CID 62089886
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-ol
CID 63158943

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)pentan-2-ol?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)pentan-2-ol (CID 62090229) is 1-(4-tert-butylpiperidin-1-yl)pentan-2-ol.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)pentan-2-ol?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)pentan-2-ol is CCCC(O)CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)pentan-2-ol?
The InChIKey is HHWKLQLOXVOOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-6-13(16)11-15-9-7-12(8-10-15)14(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)pentan-2-ol?
1-(4-tert-butylpiperidin-1-yl)pentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)pentan-2-ol is sourced from PubChem (CID 62090229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).