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

C17H26N2O — CID 2845950

IUPACN,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine
SMILESC=CCOc1ccccc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-4-13-20-17-8-6-5-7-15(17)14-19(3)16-9-11-18(2)12-10-16/h4-8,16H,1,9-14H2,2-3H3
InChIKeyIUMOSMMWKSKVRV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.78
Rot. Bonds6

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

N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine (PubChem CID 2845950) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine
PubChem CID2845950
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine
SMILESC=CCOc1ccccc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-4-13-20-17-8-6-5-7-15(17)14-19(3)16-9-11-18(2)12-10-16/h4-8,16H,1,9-14H2,2-3H3
InChIKeyIUMOSMMWKSKVRV-UHFFFAOYSA-N
XLogP2.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
CID 170862374
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42116162
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45169935
N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 23822564
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
N-ethyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-2-amine
CID 55075358
2-[1-(1-methylpiperidin-4-yl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45180019
1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111556956
N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine
CID 46989246
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
(2S)-2-methyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium
CID 7444832

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine (CID 2845950) is N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine is C=CCOc1ccccc1CN(C)C1CCN(C)CC1.
What is the InChIKey of N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is IUMOSMMWKSKVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-13-20-17-8-6-5-7-15(17)14-19(3)16-9-11-18(2)12-10-16/h4-8,16H,1,9-14H2,2-3H3.
What are the key properties of N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine?
N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 2845950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).