4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol

C14H29N3O — CID 55160518

IUPAC4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol
SMILESCCN(CC)C1CCN(CC2(O)CCNCC2)C1
InChIInChI=1S/C14H29N3O/c1-3-17(4-2)13-5-10-16(11-13)12-14(18)6-8-15-9-7-14/h13,15,18H,3-12H2,1-2H3
InChIKeyUTBGNHZHSMIRLL-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.52
Rot. Bonds5

About 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol

4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol (PubChem CID 55160518) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol
PubChem CID55160518
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol
SMILESCCN(CC)C1CCN(CC2(O)CCNCC2)C1
InChIInChI=1S/C14H29N3O/c1-3-17(4-2)13-5-10-16(11-13)12-14(18)6-8-15-9-7-14/h13,15,18H,3-12H2,1-2H3
InChIKeyUTBGNHZHSMIRLL-UHFFFAOYSA-N
XLogP0.52
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 63536783
1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 65459345
4-[(3-ethylazetidin-1-yl)methyl]piperidin-4-ol
CID 131146550
4-[(3-fluoropiperidin-1-yl)methyl]piperidin-4-ol
CID 126846041
3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 164648785
4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol
CID 63608638
3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide
CID 63169620
4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-4-ol
CID 62221665
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol
CID 66393084
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol
CID 126846044
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol (CID 55160518) is 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol is CCN(CC)C1CCN(CC2(O)CCNCC2)C1.
What is the InChIKey of 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol?
The InChIKey is UTBGNHZHSMIRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-17(4-2)13-5-10-16(11-13)12-14(18)6-8-15-9-7-14/h13,15,18H,3-12H2,1-2H3.
What are the key properties of 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol?
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol has a molecular weight of 255.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 55160518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).