[4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine

C18H27N3 — CID 143075056

IUPAC[4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(C2CCN(CC3CCCNC3)CC2)cc1
InChIInChI=1S/C18H27N3/c19-12-15-3-5-17(6-4-15)18-7-10-21(11-8-18)14-16-2-1-9-20-13-16/h3-6,12,16,18-20H,1-2,7-11,13-14H2/b19-12+
InChIKeyULOQDWYNLLHGRE-XDHOZWIPSA-N
MW285.43 g/mol
LogP2.86
Rot. Bonds4

About [4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine

[4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine (PubChem CID 143075056) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is [4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine.

Molecular Properties

Compound Name[4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine
PubChem CID143075056
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name[4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(C2CCN(CC3CCCNC3)CC2)cc1
InChIInChI=1S/C18H27N3/c19-12-15-3-5-17(6-4-15)18-7-10-21(11-8-18)14-16-2-1-9-20-13-16/h3-6,12,16,18-20H,1-2,7-11,13-14H2/b19-12+
InChIKeyULOQDWYNLLHGRE-XDHOZWIPSA-N
XLogP2.86
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119931163
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120849667
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride
CID 120849162
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyridine
CID 18328928
3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 120858125
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride
CID 120849907
4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 174255823

Frequently Asked Questions

What is the IUPAC name of [4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine?
The IUPAC name of [4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine (CID 143075056) is [4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine.
What is the SMILES notation for [4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine?
The canonical SMILES for [4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine is [H]/N=C/c1ccc(C2CCN(CC3CCCNC3)CC2)cc1.
What is the InChIKey of [4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine?
The InChIKey is ULOQDWYNLLHGRE-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H27N3/c19-12-15-3-5-17(6-4-15)18-7-10-21(11-8-18)14-16-2-1-9-20-13-16/h3-6,12,16,18-20H,1-2,7-11,13-14H2/b19-12+.
What are the key properties of [4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine?
[4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine has a molecular weight of 285.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(piperidin-3-ylmethyl)piperidin-4-yl]phenyl]methanimine is sourced from PubChem (CID 143075056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).