(E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine

C16H24N2 — CID 106635606

IUPAC(E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine
SMILESCN(C/C=C/c1ccccc1)CC1CCCCN1
InChIInChI=1S/C16H24N2/c1-18(14-16-11-5-6-12-17-16)13-7-10-15-8-3-2-4-9-15/h2-4,7-10,16-17H,5-6,11-14H2,1H3/b10-7+
InChIKeyDXNHTWJWVWTFQP-JXMROGBWSA-N
MW244.38 g/mol
LogP2.77
Rot. Bonds5

About (E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine

(E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine (PubChem CID 106635606) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine
PubChem CID106635606
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine
SMILESCN(C/C=C/c1ccccc1)CC1CCCCN1
InChIInChI=1S/C16H24N2/c1-18(14-16-11-5-6-12-17-16)13-7-10-15-8-3-2-4-9-15/h2-4,7-10,16-17H,5-6,11-14H2,1H3/b10-7+
InChIKeyDXNHTWJWVWTFQP-JXMROGBWSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172
N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635115
(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635493
(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609856
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622977
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
N-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
CID 106614320
2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
CID 97164226

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of (E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine (CID 106635606) is (E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine is CN(C/C=C/c1ccccc1)CC1CCCCN1.
What is the InChIKey of (E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is DXNHTWJWVWTFQP-JXMROGBWSA-N. The full InChI is InChI=1S/C16H24N2/c1-18(14-16-11-5-6-12-17-16)13-7-10-15-8-3-2-4-9-15/h2-4,7-10,16-17H,5-6,11-14H2,1H3/b10-7+.
What are the key properties of (E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine?
(E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 106635606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).