1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine

C14H24N2 — CID 63656638

IUPAC1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
SMILESC#CCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H24N2/c1-2-3-8-15-11-6-14(7-12-15)13-16-9-4-5-10-16/h1,14H,3-13H2
InChIKeyFBYLBFLJTBHIAQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.82
Rot. Bonds4

About 1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine

1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 63656638) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID63656638
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
SMILESC#CCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H24N2/c1-2-3-8-15-11-6-14(7-12-15)13-16-9-4-5-10-16/h1,14H,3-13H2
InChIKeyFBYLBFLJTBHIAQ-UHFFFAOYSA-N
XLogP1.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.82
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

3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004
1-but-3-ynylazetidine
CID 130164474
5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
CID 62996721
(1-but-3-ynylpyrrolidin-3-yl)methanol
CID 62372268
2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol
CID 64791262
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
1-but-3-ynyl-4-[(4-chlorophenyl)methyl]piperidine
CID 10682872
1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63666891
1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
CID 79841857
1-(1-but-3-ynylpiperidin-4-yl)ethanone
CID 63846870

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine (CID 63656638) is 1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine is C#CCCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is FBYLBFLJTBHIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-3-8-15-11-6-14(7-12-15)13-16-9-4-5-10-16/h1,14H,3-13H2.
What are the key properties of 1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine?
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 220.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 63656638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).