1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine

C19H24N2O — CID 39288925

IUPAC1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine
SMILESCc1ccccc1Oc1ccc(CN2CCC(N)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-15-4-2-3-5-19(15)22-18-8-6-16(7-9-18)14-21-12-10-17(20)11-13-21/h2-9,17H,10-14,20H2,1H3
InChIKeyYPVJPDMUWBNUTC-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.71
Rot. Bonds4

About 1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine

1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine (PubChem CID 39288925) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine
PubChem CID39288925
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine
SMILESCc1ccccc1Oc1ccc(CN2CCC(N)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-15-4-2-3-5-19(15)22-18-8-6-16(7-9-18)14-21-12-10-17(20)11-13-21/h2-9,17H,10-14,20H2,1H3
InChIKeyYPVJPDMUWBNUTC-UHFFFAOYSA-N
XLogP3.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine
CID 39330616
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 59681853
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine
CID 68821598
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
CID 11279222
1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine
CID 23312445
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
1-benzylpiperidin-4-amine;piperazine
CID 68641719
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 120836214

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine (CID 39288925) is 1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine is Cc1ccccc1Oc1ccc(CN2CCC(N)CC2)cc1.
What is the InChIKey of 1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine?
The InChIKey is YPVJPDMUWBNUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-4-2-3-5-19(15)22-18-8-6-16(7-9-18)14-21-12-10-17(20)11-13-21/h2-9,17H,10-14,20H2,1H3.
What are the key properties of 1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine?
1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 296.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 39288925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).