4-[(4-methoxyphenyl)methyl]piperidin-3-amine

C13H20N2O — CID 84787592

IUPAC4-[(4-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccc(CC2CCNCC2N)cc1
InChIInChI=1S/C13H20N2O/c1-16-12-4-2-10(3-5-12)8-11-6-7-15-9-13(11)14/h2-5,11,13,15H,6-9,14H2,1H3
InChIKeyKBMGWPBHQQMLDD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.17
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]piperidin-3-amine

4-[(4-methoxyphenyl)methyl]piperidin-3-amine (PubChem CID 84787592) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]piperidin-3-amine
PubChem CID84787592
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[(4-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccc(CC2CCNCC2N)cc1
InChIInChI=1S/C13H20N2O/c1-16-12-4-2-10(3-5-12)8-11-6-7-15-9-13(11)14/h2-5,11,13,15H,6-9,14H2,1H3
InChIKeyKBMGWPBHQQMLDD-UHFFFAOYSA-N
XLogP1.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine
CID 54239492
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine;2,2,2-trifluoroacetic acid
CID 127021374
3-methoxy-4-[(4-methylphenyl)methyl]piperidine
CID 84735196
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
4-[(4-aminopiperidin-3-yl)methyl]phenol
CID 84779211
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061338
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine
CID 84702585

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]piperidin-3-amine (CID 84787592) is 4-[(4-methoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]piperidin-3-amine is COc1ccc(CC2CCNCC2N)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is KBMGWPBHQQMLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-12-4-2-10(3-5-12)8-11-6-7-15-9-13(11)14/h2-5,11,13,15H,6-9,14H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]piperidin-3-amine?
4-[(4-methoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 84787592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).