N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine

C16H26N2O — CID 171620477

IUPACN-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine
SMILESCCCOc1ccc(C)cc1CNC1CCNCC1
InChIInChI=1S/C16H26N2O/c1-3-10-19-16-5-4-13(2)11-14(16)12-18-15-6-8-17-9-7-15/h4-5,11,15,17-18H,3,6-10,12H2,1-2H3
InChIKeyXXBGNDMAXUOVJK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.63
Rot. Bonds6

About N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine

N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine (PubChem CID 171620477) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine
PubChem CID171620477
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine
SMILESCCCOc1ccc(C)cc1CNC1CCNCC1
InChIInChI=1S/C16H26N2O/c1-3-10-19-16-5-4-13(2)11-14(16)12-18-15-6-8-17-9-7-15/h4-5,11,15,17-18H,3,6-10,12H2,1-2H3
InChIKeyXXBGNDMAXUOVJK-UHFFFAOYSA-N
XLogP2.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
CID 77011503
N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 106929315
N-(5-chloro-2-propoxyphenyl)piperidin-4-amine
CID 54907041
N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 63327094
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide
CID 63326550
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine (CID 171620477) is N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine is CCCOc1ccc(C)cc1CNC1CCNCC1.
What is the InChIKey of N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is XXBGNDMAXUOVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-10-19-16-5-4-13(2)11-14(16)12-18-15-6-8-17-9-7-15/h4-5,11,15,17-18H,3,6-10,12H2,1-2H3.
What are the key properties of N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine?
N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 171620477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).