(3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine

C10H17N3 — CID 59880841

IUPAC(3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine
SMILESCn1cncc1C[C@@H]1CCCNC1
InChIInChI=1S/C10H17N3/c1-13-8-12-7-10(13)5-9-3-2-4-11-6-9/h7-9,11H,2-6H2,1H3/t9-/m0/s1
InChIKeyWEHLSZCATLSTKK-VIFPVBQESA-N
MW179.27 g/mol
LogP0.96
Rot. Bonds2

About (3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine

(3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine (PubChem CID 59880841) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine
PubChem CID59880841
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine
SMILESCn1cncc1C[C@@H]1CCCNC1
InChIInChI=1S/C10H17N3/c1-13-8-12-7-10(13)5-9-3-2-4-11-6-9/h7-9,11H,2-6H2,1H3/t9-/m0/s1
InChIKeyWEHLSZCATLSTKK-VIFPVBQESA-N
XLogP0.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine?
The IUPAC name of (3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine (CID 59880841) is (3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine is Cn1cncc1C[C@@H]1CCCNC1.
What is the InChIKey of (3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine?
The InChIKey is WEHLSZCATLSTKK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3/c1-13-8-12-7-10(13)5-9-3-2-4-11-6-9/h7-9,11H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine?
(3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine has a molecular weight of 179.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-methylimidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 59880841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).