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

C21H26N2O — CID 39330616

IUPAC1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine
SMILESC=CCc1ccccc1Oc1ccc(CN2CCC(N)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-2-5-18-6-3-4-7-21(18)24-20-10-8-17(9-11-20)16-23-14-12-19(22)13-15-23/h2-4,6-11,19H,1,5,12-16,22H2
InChIKeyMMSNJJNJQPJJBE-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.13
Rot. Bonds6

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

1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine (PubChem CID 39330616) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine
PubChem CID39330616
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine
SMILESC=CCc1ccccc1Oc1ccc(CN2CCC(N)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-2-5-18-6-3-4-7-21(18)24-20-10-8-17(9-11-20)16-23-14-12-19(22)13-15-23/h2-4,6-11,19H,1,5,12-16,22H2
InChIKeyMMSNJJNJQPJJBE-UHFFFAOYSA-N
XLogP4.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine
CID 39288925
1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine
CID 23312445
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 59681853
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
CID 11279222
1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one
CID 92925332
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
(2S)-1-(4-benzylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propane-2-thiol
CID 92764384
1-(4-benzylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2770396
1-benzylpiperidin-4-amine;piperazine
CID 68641719

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine (CID 39330616) is 1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine is C=CCc1ccccc1Oc1ccc(CN2CCC(N)CC2)cc1.
What is the InChIKey of 1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine?
The InChIKey is MMSNJJNJQPJJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-5-18-6-3-4-7-21(18)24-20-10-8-17(9-11-20)16-23-14-12-19(22)13-15-23/h2-4,6-11,19H,1,5,12-16,22H2.
What are the key properties of 1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine?
1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 322.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 39330616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).