(E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine

C22H29N3O2 — CID 156796304

IUPAC(E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine
SMILESCOc1cccc(C(/C(C)=N/N)N2CCC(c3ccccc3)CC2)c1OC
InChIInChI=1S/C22H29N3O2/c1-16(24-23)21(19-10-7-11-20(26-2)22(19)27-3)25-14-12-18(13-15-25)17-8-5-4-6-9-17/h4-11,18,21H,12-15,23H2,1-3H3/b24-16+
InChIKeyBBDVGHGTIVVJNA-LFVJCYFKSA-N
MW367.49 g/mol
LogP3.96
Rot. Bonds6

About (E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine

(E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine (PubChem CID 156796304) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine.

Molecular Properties

Compound Name(E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine
PubChem CID156796304
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine
SMILESCOc1cccc(C(/C(C)=N/N)N2CCC(c3ccccc3)CC2)c1OC
InChIInChI=1S/C22H29N3O2/c1-16(24-23)21(19-10-7-11-20(26-2)22(19)27-3)25-14-12-18(13-15-25)17-8-5-4-6-9-17/h4-11,18,21H,12-15,23H2,1-3H3/b24-16+
InChIKeyBBDVGHGTIVVJNA-LFVJCYFKSA-N
XLogP3.96
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-tert-butyl-2-(2,3-dimethoxyphenyl)-2-(4-phenylpiperidin-1-yl)ethanimidamide;ethane
CID 156796118
2-(2,3-dimethoxyphenyl)-N-imino-2-(4-phenylpiperidin-1-yl)ethanimidamide;formic acid;(1-methylpyrrolidin-3-yl)methanamine
CID 156796274
3-[(2,3-dimethoxyphenyl)-(4-phenylpiperidin-1-yl)methyl]-5-(2-phenylethyl)-1,2,4-thiadiazole
CID 156796121
5-[(2,3-dimethoxyphenyl)-(4-phenylpiperidin-1-yl)methyl]-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 156796129
2-(4-acetyl-1,4-diazepan-1-yl)-2-(2,3-dimethoxyphenyl)acetic acid
CID 72889820
(2S)-2-(2,3-dimethoxyphenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetic acid
CID 97187301
(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid
CID 97268824
2-(2,3-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)acetic acid
CID 84747599
1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
CID 3949062
N-amino-2-[4-[(Z)-1-amino-3-sulfanylideneprop-1-enyl]piperidin-1-yl]-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide
CID 156796120
1-[(5-chloro-2-methoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4007613
1-[(2,3-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 4241750

Frequently Asked Questions

What is the IUPAC name of (E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine?
The IUPAC name of (E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine (CID 156796304) is (E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine.
What is the SMILES notation for (E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine?
The canonical SMILES for (E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine is COc1cccc(C(/C(C)=N/N)N2CCC(c3ccccc3)CC2)c1OC.
What is the InChIKey of (E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine?
The InChIKey is BBDVGHGTIVVJNA-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(24-23)21(19-10-7-11-20(26-2)22(19)27-3)25-14-12-18(13-15-25)17-8-5-4-6-9-17/h4-11,18,21H,12-15,23H2,1-3H3/b24-16+.
What are the key properties of (E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine?
(E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine has a molecular weight of 367.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[1-(2,3-dimethoxyphenyl)-1-(4-phenylpiperidin-1-yl)propan-2-ylidene]hydrazine is sourced from PubChem (CID 156796304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).