N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine

C16H25N3 — CID 144729414

IUPACN,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine
SMILESC=C/C(=C1/CCN=CC1=C)N1CCC(N(C)C)CC1
InChIInChI=1S/C16H25N3/c1-5-16(15-6-9-17-12-13(15)2)19-10-7-14(8-11-19)18(3)4/h5,12,14H,1-2,6-11H2,3-4H3/b16-15+
InChIKeyOZIQSQXYOAVEFH-FOCLMDBBSA-N
MW259.40 g/mol
LogP2.48
Rot. Bonds3

About N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine

N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine (PubChem CID 144729414) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine
PubChem CID144729414
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine
SMILESC=C/C(=C1/CCN=CC1=C)N1CCC(N(C)C)CC1
InChIInChI=1S/C16H25N3/c1-5-16(15-6-9-17-12-13(15)2)19-10-7-14(8-11-19)18(3)4/h5,12,14H,1-2,6-11H2,3-4H3/b16-15+
InChIKeyOZIQSQXYOAVEFH-FOCLMDBBSA-N
XLogP2.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine (CID 144729414) is N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine is C=C/C(=C1/CCN=CC1=C)N1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine?
The InChIKey is OZIQSQXYOAVEFH-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-16(15-6-9-17-12-13(15)2)19-10-7-14(8-11-19)18(3)4/h5,12,14H,1-2,6-11H2,3-4H3/b16-15+.
What are the key properties of N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine?
N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine has a molecular weight of 259.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1E)-1-(5-methylidene-2,3-dihydropyridin-4-ylidene)prop-2-enyl]piperidin-4-amine is sourced from PubChem (CID 144729414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).