4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol

C24H34N2O — CID 45176513

IUPAC4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cc1
InChIInChI=1S/C24H34N2O/c27-16-2-1-5-21-8-10-23(11-9-21)18-26-15-13-24(20-26)12-4-14-25(19-24)17-22-6-3-7-22/h8-11,22,27H,2-4,6-7,12-20H2
InChIKeyITCWPVURSTZXIR-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.51
Rot. Bonds5

About 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol

4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol (PubChem CID 45176513) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol
PubChem CID45176513
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cc1
InChIInChI=1S/C24H34N2O/c27-16-2-1-5-21-8-10-23(11-9-21)18-26-15-13-24(20-26)12-4-14-25(19-24)17-22-6-3-7-22/h8-11,22,27H,2-4,6-7,12-20H2
InChIKeyITCWPVURSTZXIR-UHFFFAOYSA-N
XLogP3.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol with MolForge

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Related Compounds

9-(cyclobutylmethyl)-2-(cyclopentylmethyl)-2,9-diazaspiro[4.5]decane
CID 45249551
9-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 45250023
4-[4-[[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 45177304
(3S,4S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-methylpiperidine-3,4-diol
CID 72891435
4-[4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 106837442
4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 63971977
4-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 79184277
4-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperazine-2,6-dione
CID 66084823
ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 45195623
(5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
CID 126425953
9-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155847570
N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 45205357

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol (CID 45176513) is 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol is OCCC#Cc1ccc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cc1.
What is the InChIKey of 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol?
The InChIKey is ITCWPVURSTZXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c27-16-2-1-5-21-8-10-23(11-9-21)18-26-15-13-24(20-26)12-4-14-25(19-24)17-22-6-3-7-22/h8-11,22,27H,2-4,6-7,12-20H2.
What are the key properties of 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol?
4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol has a molecular weight of 366.55 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 45176513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).