N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine

C18H28N4 — CID 11980616

IUPACN-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine
SMILESC1=CC(/C=N/C2CCC(/N=C/C3CCNCC3)CC2)=CCN1
InChIInChI=1S/C18H28N4/c1-2-18(22-14-16-7-11-20-12-8-16)4-3-17(1)21-13-15-5-9-19-10-6-15/h5-6,9,13-14,16-20H,1-4,7-8,10-12H2/b21-13+,22-14+
InChIKeyDLRXFDRZWFRMLI-JFMUQQRKSA-N
MW300.45 g/mol
LogP2.48
Rot. Bonds4

About N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine

N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine (PubChem CID 11980616) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine.

Molecular Properties

Compound NameN-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine
PubChem CID11980616
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine
SMILESC1=CC(/C=N/C2CCC(/N=C/C3CCNCC3)CC2)=CCN1
InChIInChI=1S/C18H28N4/c1-2-18(22-14-16-7-11-20-12-8-16)4-3-17(1)21-13-15-5-9-19-10-6-15/h5-6,9,13-14,16-20H,1-4,7-8,10-12H2/b21-13+,22-14+
InChIKeyDLRXFDRZWFRMLI-JFMUQQRKSA-N
XLogP2.48
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-3,4-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085394
N-[(5Z,6E)-6-(aminomethylidene)-3-(5-ethyl-3,4-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085439
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-ethyl-3,4-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085447
(E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine
CID 137230007
N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine
CID 5232462
N-(1,2-dihydropyridin-4-ylmethylideneamino)-1-piperidin-4-ylmethanimine
CID 5248446

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine?
The IUPAC name of N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine (CID 11980616) is N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine.
What is the SMILES notation for N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine?
The canonical SMILES for N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine is C1=CC(/C=N/C2CCC(/N=C/C3CCNCC3)CC2)=CCN1.
What is the InChIKey of N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine?
The InChIKey is DLRXFDRZWFRMLI-JFMUQQRKSA-N. The full InChI is InChI=1S/C18H28N4/c1-2-18(22-14-16-7-11-20-12-8-16)4-3-17(1)21-13-15-5-9-19-10-6-15/h5-6,9,13-14,16-20H,1-4,7-8,10-12H2/b21-13+,22-14+.
What are the key properties of N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine?
N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine has a molecular weight of 300.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-dihydropyridin-4-ylmethylideneamino)cyclohexyl]-1-piperidin-4-ylmethanimine is sourced from PubChem (CID 11980616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).