(3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine

C10H16ClN3O — CID 106938626

IUPAC(3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine
SMILESCn1c(Cl)cnc1CO[C@H]1CCCNC1
InChIInChI=1S/C10H16ClN3O/c1-14-9(11)6-13-10(14)7-15-8-3-2-4-12-5-8/h6,8,12H,2-5,7H2,1H3/t8-/m0/s1
InChIKeyBEZBHZFVPZXZHI-QMMMGPOBSA-N
MW229.71 g/mol
LogP1.34
Rot. Bonds3

About (3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine

(3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine (PubChem CID 106938626) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is (3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine.

Molecular Properties

Compound Name(3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine
PubChem CID106938626
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name(3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine
SMILESCn1c(Cl)cnc1CO[C@H]1CCCNC1
InChIInChI=1S/C10H16ClN3O/c1-14-9(11)6-13-10(14)7-15-8-3-2-4-12-5-8/h6,8,12H,2-5,7H2,1H3/t8-/m0/s1
InChIKeyBEZBHZFVPZXZHI-QMMMGPOBSA-N
XLogP1.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole
CID 106937675
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
CID 71639891
2-chloro-5-[[(3S)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639892
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639890
2-(piperidin-3-yloxymethyl)pyrimidine
CID 62698252
(3S)-3-[(2-methyltetrazol-5-yl)methoxy]piperidine
CID 107044455
2-[(5-chloro-1-methylimidazol-2-yl)methoxymethyl]piperidine
CID 106937782
3-(1H-pyrazol-4-ylmethoxy)piperidine
CID 130569410
2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole
CID 129372026
3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640792
(3R)-3-[(4-propan-2-ylphenyl)methoxy]piperidine
CID 86322666
3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine?
The IUPAC name of (3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine (CID 106938626) is (3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine.
What is the SMILES notation for (3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine?
The canonical SMILES for (3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine is Cn1c(Cl)cnc1CO[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine?
The InChIKey is BEZBHZFVPZXZHI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-14-9(11)6-13-10(14)7-15-8-3-2-4-12-5-8/h6,8,12H,2-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine?
(3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine has a molecular weight of 229.71 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine is sourced from PubChem (CID 106938626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).