2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde

C25H29F3N2O — CID 142248170

IUPAC2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde
SMILESO=CCNC1(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CCN(C2CCCC2)CC1
InChIInChI=1S/C25H29F3N2O/c26-25(27,28)22-5-3-4-20(18-22)19-8-10-21(11-9-19)24(29-14-17-31)12-15-30(16-13-24)23-6-1-2-7-23/h3-5,8-11,17-18,23,29H,1-2,6-7,12-16H2
InChIKeyXEUNRLGCEXCSQO-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.39
Rot. Bonds6

About 2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde

2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde (PubChem CID 142248170) has the molecular formula C25H29F3N2O and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde
PubChem CID142248170
Molecular FormulaC25H29F3N2O
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde
SMILESO=CCNC1(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CCN(C2CCCC2)CC1
InChIInChI=1S/C25H29F3N2O/c26-25(27,28)22-5-3-4-20(18-22)19-8-10-21(11-9-19)24(29-14-17-31)12-15-30(16-13-24)23-6-1-2-7-23/h3-5,8-11,17-18,23,29H,1-2,6-7,12-16H2
InChIKeyXEUNRLGCEXCSQO-UHFFFAOYSA-N
XLogP5.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-cyclopentyl-4-[4-(3-isocyanophenyl)phenyl]piperidin-4-yl]amino]-N-phenylacetamide;ethane
CID 90913583
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
butane;1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine;ethane
CID 145118393
2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 95818569
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
3-(4-cyclopropylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine;hydrochloride
CID 68858617
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950720
2-cyclopentyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 70983436
ethyl 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]piperidine-3-carboxylate
CID 71086529
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442446
1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole
CID 174559191
5-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine
CID 142786504

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde?
The IUPAC name of 2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde (CID 142248170) is 2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde.
What is the SMILES notation for 2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde?
The canonical SMILES for 2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde is O=CCNC1(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CCN(C2CCCC2)CC1.
What is the InChIKey of 2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde?
The InChIKey is XEUNRLGCEXCSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O/c26-25(27,28)22-5-3-4-20(18-22)19-8-10-21(11-9-19)24(29-14-17-31)12-15-30(16-13-24)23-6-1-2-7-23/h3-5,8-11,17-18,23,29H,1-2,6-7,12-16H2.
What are the key properties of 2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde?
2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde has a molecular weight of 430.51 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopentyl-4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperidin-4-yl]amino]acetaldehyde is sourced from PubChem (CID 142248170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).