3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine

C12H20ClN3 — CID 102960102

IUPAC3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
SMILESCC1CCN(CCCn2ccnc2)CC1Cl
InChIInChI=1S/C12H20ClN3/c1-11-3-7-15(9-12(11)13)5-2-6-16-8-4-14-10-16/h4,8,10-12H,2-3,5-7,9H2,1H3
InChIKeyCRTCDKIWDVLWDM-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.22
Rot. Bonds4

About 3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine

3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine (PubChem CID 102960102) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine.

Molecular Properties

Compound Name3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
PubChem CID102960102
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
SMILESCC1CCN(CCCn2ccnc2)CC1Cl
InChIInChI=1S/C12H20ClN3/c1-11-3-7-15(9-12(11)13)5-2-6-16-8-4-14-10-16/h4,8,10-12H,2-3,5-7,9H2,1H3
InChIKeyCRTCDKIWDVLWDM-UHFFFAOYSA-N
XLogP2.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633
1-[3-[3-(2-chloroethyl)pyrrolidin-1-yl]propyl]imidazole
CID 114800577
[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961289
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
CID 75483244
3-chloro-4-methyl-1-pentylpiperidine
CID 102960020
1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
CID 63853072
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 81213787
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine?
The IUPAC name of 3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine (CID 102960102) is 3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine.
What is the SMILES notation for 3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine?
The canonical SMILES for 3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine is CC1CCN(CCCn2ccnc2)CC1Cl.
What is the InChIKey of 3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine?
The InChIKey is CRTCDKIWDVLWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-11-3-7-15(9-12(11)13)5-2-6-16-8-4-14-10-16/h4,8,10-12H,2-3,5-7,9H2,1H3.
What are the key properties of 3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine?
3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine has a molecular weight of 241.77 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine is sourced from PubChem (CID 102960102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).