2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol

C18H29NO — CID 62355946

IUPAC2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
SMILESCC(C)(C)c1ccc(CN2CCCC(CCO)C2)cc1
InChIInChI=1S/C18H29NO/c1-18(2,3)17-8-6-16(7-9-17)14-19-11-4-5-15(13-19)10-12-20/h6-9,15,20H,4-5,10-14H2,1-3H3
InChIKeyPNDZDZDGTKOSKP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.58
Rot. Bonds4

About 2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol

2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol (PubChem CID 62355946) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
PubChem CID62355946
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
SMILESCC(C)(C)c1ccc(CN2CCCC(CCO)C2)cc1
InChIInChI=1S/C18H29NO/c1-18(2,3)17-8-6-16(7-9-17)14-19-11-4-5-15(13-19)10-12-20/h6-9,15,20H,4-5,10-14H2,1-3H3
InChIKeyPNDZDZDGTKOSKP-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
4-[[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methoxy]benzoic acid
CID 22116078
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
4-[[3-(2-bromoethyl)piperidin-1-yl]methyl]phenol
CID 80691743
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol
CID 77094866
2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648006
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol (CID 62355946) is 2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol is CC(C)(C)c1ccc(CN2CCCC(CCO)C2)cc1.
What is the InChIKey of 2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol?
The InChIKey is PNDZDZDGTKOSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)17-8-6-16(7-9-17)14-19-11-4-5-15(13-19)10-12-20/h6-9,15,20H,4-5,10-14H2,1-3H3.
What are the key properties of 2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol?
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol has a molecular weight of 275.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62355946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).