cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol

C27H39NO2 — CID 144757762

IUPACcyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
SMILESC1CCCC1.Cc1ccc(OCCCN2CCC(C(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29NO2.C5H10/c1-18-8-10-21(11-9-18)25-17-5-14-23-15-12-20(13-16-23)22(24)19-6-3-2-4-7-19;1-2-4-5-3-1/h2-4,6-11,20,22,24H,5,12-17H2,1H3;1-5H2
InChIKeyZASMEAJCZRRGPK-UHFFFAOYSA-N
MW409.61 g/mol
LogP6.16
Rot. Bonds7

About cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol

cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol (PubChem CID 144757762) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Namecyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
PubChem CID144757762
Molecular FormulaC27H39NO2
Molecular Weight409.61 g/mol
Exact Mass409.30
IUPAC Namecyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
SMILESC1CCCC1.Cc1ccc(OCCCN2CCC(C(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29NO2.C5H10/c1-18-8-10-21(11-9-18)25-17-5-14-23-15-12-20(13-16-23)22(24)19-6-3-2-4-7-19;1-2-4-5-3-1/h2-4,6-11,20,22,24H,5,12-17H2,1H3;1-5H2
InChIKeyZASMEAJCZRRGPK-UHFFFAOYSA-N
XLogP6.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 111022318
4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294474
(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanamine;hydrate;dihydrochloride
CID 70082267

Frequently Asked Questions

What is the IUPAC name of cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol (CID 144757762) is cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol is C1CCCC1.Cc1ccc(OCCCN2CCC(C(O)c3ccccc3)CC2)cc1.
What is the InChIKey of cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is ZASMEAJCZRRGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2.C5H10/c1-18-8-10-21(11-9-18)25-17-5-14-23-15-12-20(13-16-23)22(24)19-6-3-2-4-7-19;1-2-4-5-3-1/h2-4,6-11,20,22,24H,5,12-17H2,1H3;1-5H2.
What are the key properties of cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol?
cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 409.61 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 144757762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).