N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C17H27ClN2O — CID 114848126

IUPACN-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOC1CCN(c2cc(Cl)ccc2CNC(C)(C)C)CC1
InChIInChI=1S/C17H27ClN2O/c1-17(2,3)19-12-13-5-6-14(18)11-16(13)20-9-7-15(21-4)8-10-20/h5-6,11,15,19H,7-10,12H2,1-4H3
InChIKeySRNQFHZEWWETPD-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.84
Rot. Bonds4

About N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 114848126) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID114848126
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOC1CCN(c2cc(Cl)ccc2CNC(C)(C)C)CC1
InChIInChI=1S/C17H27ClN2O/c1-17(2,3)19-12-13-5-6-14(18)11-16(13)20-9-7-15(21-4)8-10-20/h5-6,11,15,19H,7-10,12H2,1-4H3
InChIKeySRNQFHZEWWETPD-UHFFFAOYSA-N
XLogP3.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 103535772
[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
CID 63082823
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851035
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]pyrrolidine-3,4-diol
CID 106670521
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
CID 114847855
N-[[3-fluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058425
N-[[4-chloro-2-(1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114850835
N-[[4-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 103535869
1-[4-chloro-2-(chloromethyl)phenyl]-4-methoxypiperidine
CID 114846387
1-[2-(bromomethyl)-5-chlorophenyl]-3-methoxypyrrolidine
CID 107085598
1-[4-chloro-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylmethanamine
CID 114851558
1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 114860582

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 114848126) is N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is COC1CCN(c2cc(Cl)ccc2CNC(C)(C)C)CC1.
What is the InChIKey of N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SRNQFHZEWWETPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-17(2,3)19-12-13-5-6-14(18)11-16(13)20-9-7-15(21-4)8-10-20/h5-6,11,15,19H,7-10,12H2,1-4H3.
What are the key properties of N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.87 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114848126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).