N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde

C28H33N3O — CID 143672794

IUPACN,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde
SMILESC=C(c1ccc(C)c(-c2ccc(N(C)C)nc2)c1)N1CCC(c2ccccc2)CC1.C=O
InChIInChI=1S/C27H31N3.CH2O/c1-20-10-11-24(18-26(20)25-12-13-27(28-19-25)29(3)4)21(2)30-16-14-23(15-17-30)22-8-6-5-7-9-22;1-2/h5-13,18-19,23H,2,14-17H2,1,3-4H3;1H2
InChIKeyMIHJEZUGYCEEIZ-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.79
Rot. Bonds5

About N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde

N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde (PubChem CID 143672794) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde
PubChem CID143672794
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC NameN,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde
SMILESC=C(c1ccc(C)c(-c2ccc(N(C)C)nc2)c1)N1CCC(c2ccccc2)CC1.C=O
InChIInChI=1S/C27H31N3.CH2O/c1-20-10-11-24(18-26(20)25-12-13-27(28-19-25)29(3)4)21(2)30-16-14-23(15-17-30)22-8-6-5-7-9-22;1-2/h5-13,18-19,23H,2,14-17H2,1,3-4H3;1H2
InChIKeyMIHJEZUGYCEEIZ-UHFFFAOYSA-N
XLogP5.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(dimethylamino)-3-pyridinyl]-[4-(3-hydroxyphenyl)piperidin-1-yl]methanone
CID 74238538
6-(dimethylamino)-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646018
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742
[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28732391
1-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]-3-(2-pyridin-2-ylethyl)urea
CID 143698728
N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide
CID 89265421
acetaldehyde;5-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-2-ethylphenyl]-2-chloropyridine;ethane
CID 143672698
4-[1-[4-methyl-3-[6-(propan-2-ylamino)-3-pyridinyl]benzoyl]azepan-4-yl]benzonitrile
CID 176574181
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175
N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 69166772
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde?
The IUPAC name of N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde (CID 143672794) is N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde.
What is the SMILES notation for N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde?
The canonical SMILES for N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde is C=C(c1ccc(C)c(-c2ccc(N(C)C)nc2)c1)N1CCC(c2ccccc2)CC1.C=O.
What is the InChIKey of N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde?
The InChIKey is MIHJEZUGYCEEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3.CH2O/c1-20-10-11-24(18-26(20)25-12-13-27(28-19-25)29(3)4)21(2)30-16-14-23(15-17-30)22-8-6-5-7-9-22;1-2/h5-13,18-19,23H,2,14-17H2,1,3-4H3;1H2.
What are the key properties of N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde?
N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde has a molecular weight of 427.59 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde is sourced from PubChem (CID 143672794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).