1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine

C13H22N2 — CID 63259701

IUPAC1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine
SMILESC#CCCN1CCC(C2CCCN2)CC1
InChIInChI=1S/C13H22N2/c1-2-3-9-15-10-6-12(7-11-15)13-5-4-8-14-13/h1,12-14H,3-11H2
InChIKeyCTZSWBAGDGDSNY-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.47
Rot. Bonds3

About 1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine

1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine (PubChem CID 63259701) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine
PubChem CID63259701
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine
SMILESC#CCCN1CCC(C2CCCN2)CC1
InChIInChI=1S/C13H22N2/c1-2-3-9-15-10-6-12(7-11-15)13-5-4-8-14-13/h1,12-14H,3-11H2
InChIKeyCTZSWBAGDGDSNY-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095
1-pentyl-4-pyrrolidin-2-ylpiperidine
CID 63255578
1-decyl-4-pyrrolidin-2-ylpiperidine
CID 63404665
1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine
CID 106727944
1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 55169547
1-but-3-ynylazetidine
CID 130164474
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118759759
1-but-3-ynylpiperazine
CID 24700258
1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine
CID 63259525
1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120835043
1-(2,3-dichloroprop-2-enyl)-4-pyrrolidin-2-ylpiperidine
CID 79172880

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine (CID 63259701) is 1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine is C#CCCN1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine?
The InChIKey is CTZSWBAGDGDSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-9-15-10-6-12(7-11-15)13-5-4-8-14-13/h1,12-14H,3-11H2.
What are the key properties of 1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine?
1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine has a molecular weight of 206.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63259701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).