(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride

C9H17Cl2N3 — CID 169426845

IUPAC(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
SMILESCl.Cl.c1ncc(C[C@H]2CCCNC2)[nH]1
InChIInChI=1S/C9H15N3.2ClH/c1-2-8(5-10-3-1)4-9-6-11-7-12-9;;/h6-8,10H,1-5H2,(H,11,12);2*1H/t8-;;/m1../s1
InChIKeyLDWUERDCCFDUPY-YCBDHFTFSA-N
MW238.16 g/mol
LogP1.80
Rot. Bonds2

About (3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride

(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride (PubChem CID 169426845) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is (3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
PubChem CID169426845
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
SMILESCl.Cl.c1ncc(C[C@H]2CCCNC2)[nH]1
InChIInChI=1S/C9H15N3.2ClH/c1-2-8(5-10-3-1)4-9-6-11-7-12-9;;/h6-8,10H,1-5H2,(H,11,12);2*1H/t8-;;/m1../s1
InChIKeyLDWUERDCCFDUPY-YCBDHFTFSA-N
XLogP1.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639662
5-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylmethyl)-1H-imidazole;hydrochloride
CID 162333788
N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 95721087
5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485
(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine
CID 59880780
3-bromo-5-(piperidin-3-ylmethyl)pyridine
CID 104811408
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
1-ethyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11164099
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106631158
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 62690462
[(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid
CID 59880709
5-(piperidin-3-ylmethyl)-1H-pyrazole-3-carbaldehyde
CID 115092869

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride?
The IUPAC name of (3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride (CID 169426845) is (3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride.
What is the SMILES notation for (3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride?
The canonical SMILES for (3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride is Cl.Cl.c1ncc(C[C@H]2CCCNC2)[nH]1.
What is the InChIKey of (3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride?
The InChIKey is LDWUERDCCFDUPY-YCBDHFTFSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-2-8(5-10-3-1)4-9-6-11-7-12-9;;/h6-8,10H,1-5H2,(H,11,12);2*1H/t8-;;/m1../s1.
What are the key properties of (3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride?
(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride is sourced from PubChem (CID 169426845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).