1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine

C21H30N2 — CID 10193212

IUPAC1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine
SMILESC(#Cc1ccc(CN2CCCCC2)cc1)CCN1CCCCC1
InChIInChI=1S/C21H30N2/c1-4-14-22(15-5-1)16-8-3-9-20-10-12-21(13-11-20)19-23-17-6-2-7-18-23/h10-13H,1-2,4-8,14-19H2
InChIKeyTWJSDUFYUPMDGD-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.90
Rot. Bonds4

About 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine

1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine (PubChem CID 10193212) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine
PubChem CID10193212
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine
SMILESC(#Cc1ccc(CN2CCCCC2)cc1)CCN1CCCCC1
InChIInChI=1S/C21H30N2/c1-4-14-22(15-5-1)16-8-3-9-20-10-12-21(13-11-20)19-23-17-6-2-7-18-23/h10-13H,1-2,4-8,14-19H2
InChIKeyTWJSDUFYUPMDGD-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dibenzylpiperazine
CID 200601
1-Benzyl-4-methyl-piperazine
CID 763557
1-(3-Phenyl-2-propyn-1-yl)piperidine
CID 200711
1-Benzylpiperidine
CID 76190
1-Benzyl-4-(3-phenylpropyl)piperazine
CID 2845719
1-[[4-[4-(1-Pyrrolidinyl)-1-butyn-1-yl]phenyl]methyl]piperidine
CID 10149516
1-[4-[4-(Pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine
CID 10193075
1-[[4-(4-Piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-4-carboxamide
CID 10193648
1-Methyl-4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine
CID 10215178
1-Methyl-4-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine
CID 10215179
N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine
CID 10236303
1-[[3-(4-Piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine
CID 10286408

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine (CID 10193212) is 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine is C(#Cc1ccc(CN2CCCCC2)cc1)CCN1CCCCC1.
What is the InChIKey of 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine?
The InChIKey is TWJSDUFYUPMDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-4-14-22(15-5-1)16-8-3-9-20-10-12-21(13-11-20)19-23-17-6-2-7-18-23/h10-13H,1-2,4-8,14-19H2.
What are the key properties of 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine?
1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine has a molecular weight of 310.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine is sourced from PubChem (CID 10193212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).