4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride

C13H25ClN2 — CID 120849683

IUPAC4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
SMILESC1CC(CN2CCC(C3CC3)C2)CCN1.Cl
InChIInChI=1S/C13H24N2.ClH/c1-2-12(1)13-5-8-15(10-13)9-11-3-6-14-7-4-11;/h11-14H,1-10H2;1H
InChIKeyBYGACUXBQNBAAM-UHFFFAOYSA-N
MW244.81 g/mol
LogP2.14
Rot. Bonds3

About 4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride

4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride (PubChem CID 120849683) has the molecular formula C13H25ClN2 and a molecular weight of 244.81 g/mol. Its IUPAC name is 4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
PubChem CID120849683
Molecular FormulaC13H25ClN2
Molecular Weight244.81 g/mol
Exact Mass244.17
IUPAC Name4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
SMILESC1CC(CN2CCC(C3CC3)C2)CCN1.Cl
InChIInChI=1S/C13H24N2.ClH/c1-2-12(1)13-5-8-15(10-13)9-11-3-6-14-7-4-11;/h11-14H,1-10H2;1H
InChIKeyBYGACUXBQNBAAM-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
(3R)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol
CID 86323280
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 146558610
(3aS,7aS)-5-(cyclopropylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 124910290
1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091278
4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119932458
2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115741583
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
CID 171564874
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60851063
4-(1-propylpyrrolidin-3-yl)piperidine
CID 117022732

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride (CID 120849683) is 4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride is C1CC(CN2CCC(C3CC3)C2)CCN1.Cl.
What is the InChIKey of 4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride?
The InChIKey is BYGACUXBQNBAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2.ClH/c1-2-12(1)13-5-8-15(10-13)9-11-3-6-14-7-4-11;/h11-14H,1-10H2;1H.
What are the key properties of 4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride?
4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride has a molecular weight of 244.81 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 120849683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).