(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine

C18H25N3 — CID 42529056

IUPAC(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine
SMILESCc1ccccc1CC[C@@H]1CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C18H25N3/c1-15-5-2-3-7-17(15)9-8-16-6-4-12-21(13-16)14-18-19-10-11-20-18/h2-3,5,7,10-11,16H,4,6,8-9,12-14H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyQCKDVNJBNBPFOS-INIZCTEOSA-N
MW283.42 g/mol
LogP3.56
Rot. Bonds5

About (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine

(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine (PubChem CID 42529056) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine
PubChem CID42529056
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine
SMILESCc1ccccc1CC[C@@H]1CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C18H25N3/c1-15-5-2-3-7-17(15)9-8-16-6-4-12-21(13-16)14-18-19-10-11-20-18/h2-3,5,7,10-11,16H,4,6,8-9,12-14H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyQCKDVNJBNBPFOS-INIZCTEOSA-N
XLogP3.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95542964
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
CID 110095075
(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]piperidine
CID 95715894
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
[2-(1H-imidazol-2-yl)phenyl]-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 56867799
[2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95542984
6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 124940637
N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 45178863
5-methoxy-2-[[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methyl]pyran-4-one
CID 56899648
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
(4-chloro-2-methylphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone
CID 45205723
1-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 28685153

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine?
The IUPAC name of (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine (CID 42529056) is (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine.
What is the SMILES notation for (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine?
The canonical SMILES for (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine is Cc1ccccc1CC[C@@H]1CCCN(Cc2ncc[nH]2)C1.
What is the InChIKey of (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine?
The InChIKey is QCKDVNJBNBPFOS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3/c1-15-5-2-3-7-17(15)9-8-16-6-4-12-21(13-16)14-18-19-10-11-20-18/h2-3,5,7,10-11,16H,4,6,8-9,12-14H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine?
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine has a molecular weight of 283.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine is sourced from PubChem (CID 42529056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).