N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine

C16H26N2O — CID 61210662

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine
SMILESCOc1ccc(CC(C)NC2CCCN(C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-13(17-15-5-4-10-18(2)12-15)11-14-6-8-16(19-3)9-7-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3
InChIKeyFVFJOQUUILVCTH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine

N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine (PubChem CID 61210662) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine
PubChem CID61210662
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine
SMILESCOc1ccc(CC(C)NC2CCCN(C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-13(17-15-5-4-10-18(2)12-15)11-14-6-8-16(19-3)9-7-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3
InChIKeyFVFJOQUUILVCTH-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
CID 43508797
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylazepan-4-amine
CID 65074925
4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
CID 61212712
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
CID 61210453
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94441247
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
CID 43373330
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine (CID 61210662) is N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine is COc1ccc(CC(C)NC2CCCN(C)C2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine?
The InChIKey is FVFJOQUUILVCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(17-15-5-4-10-18(2)12-15)11-14-6-8-16(19-3)9-7-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine?
N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 61210662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).