3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine

C15H24N2O — CID 94689546

IUPAC3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
SMILESCOc1ccc(C2CCN(CCCN)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-18-15-5-3-13(4-6-15)14-7-11-17(12-8-14)10-2-9-16/h3-6,14H,2,7-12,16H2,1H3
InChIKeyCGYYKBDNCDONIE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.22
Rot. Bonds5

About 3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine

3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine (PubChem CID 94689546) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
PubChem CID94689546
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
SMILESCOc1ccc(C2CCN(CCCN)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-18-15-5-3-13(4-6-15)14-7-11-17(12-8-14)10-2-9-16/h3-6,14H,2,7-12,16H2,1H3
InChIKeyCGYYKBDNCDONIE-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800
5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile
CID 71985476
4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
CID 54235113
3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 18326605
4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-1,4-benzoxazine
CID 142698769
(2R)-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-2-methylmorpholine
CID 124737887
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
[5-amino-7-[4-(4-methoxyphenyl)piperidin-1-yl]-5-methylheptyl]boronic acid
CID 145219519
3-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65431024
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305
N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide
CID 122132528
4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
CID 124591492

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine (CID 94689546) is 3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine is COc1ccc(C2CCN(CCCN)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine?
The InChIKey is CGYYKBDNCDONIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-15-5-3-13(4-6-15)14-7-11-17(12-8-14)10-2-9-16/h3-6,14H,2,7-12,16H2,1H3.
What are the key properties of 3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine?
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 94689546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).