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

C15H22N2O — CID 23312445

IUPAC1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine
SMILESC=CCOc1ccc(CN2CCC(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-11-18-15-5-3-13(4-6-15)12-17-9-7-14(16)8-10-17/h2-6,14H,1,7-12,16H2
InChIKeySYKHDOZUZYBQRK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.17
Rot. Bonds5

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

1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine (PubChem CID 23312445) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine
PubChem CID23312445
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine
SMILESC=CCOc1ccc(CN2CCC(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-11-18-15-5-3-13(4-6-15)12-17-9-7-14(16)8-10-17/h2-6,14H,1,7-12,16H2
InChIKeySYKHDOZUZYBQRK-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.17
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-prop-2-enoxyphenyl)methyl]piperidine
CID 2281055
1-[[4-(2-prop-2-enylphenoxy)phenyl]methyl]piperidin-4-amine
CID 39330616
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine
CID 39288925
6-chloro-3-oxo-2-[1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1H-isoindole-5-sulfonamide
CID 13370617
1-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 167948430
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 59681853

Frequently Asked Questions

What is the IUPAC name of 1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine (CID 23312445) is 1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine is C=CCOc1ccc(CN2CCC(N)CC2)cc1.
What is the InChIKey of 1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is SYKHDOZUZYBQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-11-18-15-5-3-13(4-6-15)12-17-9-7-14(16)8-10-17/h2-6,14H,1,7-12,16H2.
What are the key properties of 1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine?
1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 246.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-prop-2-enoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 23312445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).