cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol

C29H37N3O2 — CID 71771141

IUPACcyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol
SMILESCn1ccnc1COc1ccc(CN2CCC(C(O)(c3ccccc3)C3CCCC3)CC2)cc1
InChIInChI=1S/C29H37N3O2/c1-31-20-17-30-28(31)22-34-27-13-11-23(12-14-27)21-32-18-15-26(16-19-32)29(33,25-9-5-6-10-25)24-7-3-2-4-8-24/h2-4,7-8,11-14,17,20,25-26,33H,5-6,9-10,15-16,18-19,21-22H2,1H3
InChIKeyAVWOIVBCCOQICZ-UHFFFAOYSA-N
MW459.63 g/mol
LogP5.29
Rot. Bonds8

About cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol

cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol (PubChem CID 71771141) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Namecyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol
PubChem CID71771141
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Namecyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol
SMILESCn1ccnc1COc1ccc(CN2CCC(C(O)(c3ccccc3)C3CCCC3)CC2)cc1
InChIInChI=1S/C29H37N3O2/c1-31-20-17-30-28(31)22-34-27-13-11-23(12-14-27)21-32-18-15-26(16-19-32)29(33,25-9-5-6-10-25)24-7-3-2-4-8-24/h2-4,7-8,11-14,17,20,25-26,33H,5-6,9-10,15-16,18-19,21-22H2,1H3
InChIKeyAVWOIVBCCOQICZ-UHFFFAOYSA-N
XLogP5.29
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol
CID 60523622
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol
CID 86998725
2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 112843998
4-benzyl-3-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 60524423
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone
CID 51003617
5-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]pyridine-2-carbonitrile
CID 86582431
4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
CID 56796537
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55791150
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol (CID 71771141) is cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol is Cn1ccnc1COc1ccc(CN2CCC(C(O)(c3ccccc3)C3CCCC3)CC2)cc1.
What is the InChIKey of cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is AVWOIVBCCOQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-31-20-17-30-28(31)22-34-27-13-11-23(12-14-27)21-32-18-15-26(16-19-32)29(33,25-9-5-6-10-25)24-7-3-2-4-8-24/h2-4,7-8,11-14,17,20,25-26,33H,5-6,9-10,15-16,18-19,21-22H2,1H3.
What are the key properties of cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol?
cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 459.63 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 71771141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).