1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride

C9H17Cl2N3 — CID 174338495

IUPAC1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
SMILESCl.Cl.c1ncc(CN2CCCCC2)[nH]1
InChIInChI=1S/C9H15N3.2ClH/c1-2-4-12(5-3-1)7-9-6-10-8-11-9;;/h6,8H,1-5,7H2,(H,10,11);2*1H
InChIKeyOKLKFOCECVZWCI-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.24
Rot. Bonds2

About 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride

1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride (PubChem CID 174338495) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
PubChem CID174338495
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
SMILESCl.Cl.c1ncc(CN2CCCCC2)[nH]1
InChIInChI=1S/C9H15N3.2ClH/c1-2-4-12(5-3-1)7-9-6-10-8-11-9;;/h6,8H,1-5,7H2,(H,10,11);2*1H
InChIKeyOKLKFOCECVZWCI-UHFFFAOYSA-N
XLogP2.24
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol
CID 115747077
4-(fluoromethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 154760047
1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
CID 69118261
1-(1H-imidazol-5-ylmethyl)-4-(3-phenylpropyl)-1,4-diazepane
CID 56917910
5-(10-pyrrolidin-1-yldecyl)-1H-imidazole
CID 11231249
5-(pyrazolidin-1-ylmethyl)-1H-imidazole
CID 130856083
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 62761735
4-(1H-imidazol-5-ylmethyl)piperazin-2-one
CID 55254816
[(3S)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95455770
4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine
CID 141030931
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride (CID 174338495) is 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride is Cl.Cl.c1ncc(CN2CCCCC2)[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride?
The InChIKey is OKLKFOCECVZWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-2-4-12(5-3-1)7-9-6-10-8-11-9;;/h6,8H,1-5,7H2,(H,10,11);2*1H.
What are the key properties of 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride?
1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride is sourced from PubChem (CID 174338495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).