[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol

C17H27ClN2O — CID 63060772

IUPAC[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol
SMILESCC(C)(C)NCc1c(Cl)cccc1N1CCCC(CO)C1
InChIInChI=1S/C17H27ClN2O/c1-17(2,3)19-10-14-15(18)7-4-8-16(14)20-9-5-6-13(11-20)12-21/h4,7-8,13,19,21H,5-6,9-12H2,1-3H3
InChIKeyNVZWCGNJNJBCRT-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.44
Rot. Bonds4

About [1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol

[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol (PubChem CID 63060772) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is [1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol
PubChem CID63060772
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol
SMILESCC(C)(C)NCc1c(Cl)cccc1N1CCCC(CO)C1
InChIInChI=1S/C17H27ClN2O/c1-17(2,3)19-10-14-15(18)7-4-8-16(14)20-9-5-6-13(11-20)12-21/h4,7-8,13,19,21H,5-6,9-12H2,1-3H3
InChIKeyNVZWCGNJNJBCRT-UHFFFAOYSA-N
XLogP3.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590515
N-[[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63071512
2-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 43590389
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924
2-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 60677826
[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281551
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058978
N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961538
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
CID 79516188
1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
CID 62943201

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol (CID 63060772) is [1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol is CC(C)(C)NCc1c(Cl)cccc1N1CCCC(CO)C1.
What is the InChIKey of [1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol?
The InChIKey is NVZWCGNJNJBCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-17(2,3)19-10-14-15(18)7-4-8-16(14)20-9-5-6-13(11-20)12-21/h4,7-8,13,19,21H,5-6,9-12H2,1-3H3.
What are the key properties of [1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol?
[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol has a molecular weight of 310.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 63060772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).