1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol

C17H28N2O — CID 102960800

IUPAC1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccccc2CNC(C)(C)C)CC1O
InChIInChI=1S/C17H28N2O/c1-13-9-10-19(12-16(13)20)15-8-6-5-7-14(15)11-18-17(2,3)4/h5-8,13,16,18,20H,9-12H2,1-4H3
InChIKeyYWRFBCQSJSRLNL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.78
Rot. Bonds3

About 1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol

1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol (PubChem CID 102960800) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol
PubChem CID102960800
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccccc2CNC(C)(C)C)CC1O
InChIInChI=1S/C17H28N2O/c1-13-9-10-19(12-16(13)20)15-8-6-5-7-14(15)11-18-17(2,3)4/h5-8,13,16,18,20H,9-12H2,1-4H3
InChIKeyYWRFBCQSJSRLNL-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63059247
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058978
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
CID 102958633
2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246270
4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol
CID 102960910
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]pyrrolidine-3,4-diol
CID 106670521
1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
CID 79677506
N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 55159520
1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]pyrrolidin-3-ol
CID 81148819
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958200
1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol
CID 61434347

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol (CID 102960800) is 1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol is CC1CCN(c2ccccc2CNC(C)(C)C)CC1O.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol?
The InChIKey is YWRFBCQSJSRLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-9-10-19(12-16(13)20)15-8-6-5-7-14(15)11-18-17(2,3)4/h5-8,13,16,18,20H,9-12H2,1-4H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol?
1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol has a molecular weight of 276.42 g/mol, XLogP of 2.78, 3 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]phenyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102960800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).