[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol

C11H22N2O — CID 112629419

IUPAC[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC2CCNCC2)C1
InChIInChI=1S/C11H22N2O/c14-9-11-3-6-13(8-11)7-10-1-4-12-5-2-10/h10-12,14H,1-9H2
InChIKeyPJPNNHVQGJADMF-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.30
Rot. Bonds3

About [1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol

[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 112629419) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID112629419
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC2CCNCC2)C1
InChIInChI=1S/C11H22N2O/c14-9-11-3-6-13(8-11)7-10-1-4-12-5-2-10/h10-12,14H,1-9H2
InChIKeyPJPNNHVQGJADMF-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115741583
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
(3R)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol
CID 86323280
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
CID 120849683
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
CID 171564874
1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethanol;hydrochloride
CID 119931316
[1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 64867746
4-(3-methylbutyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119932466

Frequently Asked Questions

What is the IUPAC name of [1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol (CID 112629419) is [1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol is OCC1CCN(CC2CCNCC2)C1.
What is the InChIKey of [1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is PJPNNHVQGJADMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c14-9-11-3-6-13(8-11)7-10-1-4-12-5-2-10/h10-12,14H,1-9H2.
What are the key properties of [1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol?
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 198.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).