3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol

C16H26N4O — CID 70788590

IUPAC3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESCc1cccnc1CN1CCN(CC2(O)CCNC2)CC1
InChIInChI=1S/C16H26N4O/c1-14-3-2-5-18-15(14)11-19-7-9-20(10-8-19)13-16(21)4-6-17-12-16/h2-3,5,17,21H,4,6-13H2,1H3
InChIKeyYFAYRWNNIWRIHF-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.23
Rot. Bonds4

About 3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol

3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 70788590) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
PubChem CID70788590
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESCc1cccnc1CN1CCN(CC2(O)CCNC2)CC1
InChIInChI=1S/C16H26N4O/c1-14-3-2-5-18-15(14)11-19-7-9-20(10-8-19)13-16(21)4-6-17-12-16/h2-3,5,17,21H,4,6-13H2,1H3
InChIKeyYFAYRWNNIWRIHF-UHFFFAOYSA-N
XLogP0.23
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol (CID 70788590) is 3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol is Cc1cccnc1CN1CCN(CC2(O)CCNC2)CC1.
What is the InChIKey of 3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is YFAYRWNNIWRIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14-3-2-5-18-15(14)11-19-7-9-20(10-8-19)13-16(21)4-6-17-12-16/h2-3,5,17,21H,4,6-13H2,1H3.
What are the key properties of 3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 290.41 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70788590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).