1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride

C12H21ClN2 — CID 130992420

IUPAC1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
SMILESC#CCN1CCC(C2CCNC2)CC1.Cl
InChIInChI=1S/C12H20N2.ClH/c1-2-7-14-8-4-11(5-9-14)12-3-6-13-10-12;/h1,11-13H,3-10H2;1H
InChIKeyMLKXAVTVZYXYPE-UHFFFAOYSA-N
MW228.77 g/mol
LogP1.36
Rot. Bonds2

About 1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride

1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride (PubChem CID 130992420) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is 1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
PubChem CID130992420
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC Name1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
SMILESC#CCN1CCC(C2CCNC2)CC1.Cl
InChIInChI=1S/C12H20N2.ClH/c1-2-7-14-8-4-11(5-9-14)12-3-6-13-10-12;/h1,11-13H,3-10H2;1H
InChIKeyMLKXAVTVZYXYPE-UHFFFAOYSA-N
XLogP1.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 51.36
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

3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
1-prop-2-ynylpiperidin-4-ol;hydrochloride
CID 146626948
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
6-methyl-1-prop-2-ynyl-1,4-diazepane
CID 130948165
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
CID 131638052
N,N-dimethyl-3-(4-pyrrolidin-3-ylpiperidin-1-yl)propan-1-amine
CID 117022799
6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane
CID 166478789
4-ethyl-1-prop-2-ynylpiperidine
CID 60965394
1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine
CID 130921272
bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
CID 158507793
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride?
The IUPAC name of 1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride (CID 130992420) is 1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride.
What is the SMILES notation for 1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride?
The canonical SMILES for 1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride is C#CCN1CCC(C2CCNC2)CC1.Cl.
What is the InChIKey of 1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride?
The InChIKey is MLKXAVTVZYXYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.ClH/c1-2-7-14-8-4-11(5-9-14)12-3-6-13-10-12;/h1,11-13H,3-10H2;1H.
What are the key properties of 1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride?
1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride has a molecular weight of 228.77 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride is sourced from PubChem (CID 130992420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).