3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol

C10H21N3O — CID 105452360

IUPAC3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol
SMILESOC1(CNC2CCNCC2)CCNC1
InChIInChI=1S/C10H21N3O/c14-10(3-6-12-7-10)8-13-9-1-4-11-5-2-9/h9,11-14H,1-8H2
InChIKeyBDHWJAYYMWZTAZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.95
Rot. Bonds3

About 3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol

3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol (PubChem CID 105452360) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol
PubChem CID105452360
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol
SMILESOC1(CNC2CCNCC2)CCNC1
InChIInChI=1S/C10H21N3O/c14-10(3-6-12-7-10)8-13-9-1-4-11-5-2-9/h9,11-14H,1-8H2
InChIKeyBDHWJAYYMWZTAZ-UHFFFAOYSA-N
XLogP-0.95
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(cyclopropylamino)methyl]pyrrolidin-3-ol;hydrochloride
CID 19805339
3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol
CID 105452951
4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol
CID 126846027
3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-3-ol;dihydrochloride
CID 154913675
3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol
CID 70731573
3-[(thiolan-3-ylamino)methyl]piperidin-3-ol
CID 105470495
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
4-[(pyrrolidin-2-ylamino)methyl]azepan-4-ol
CID 105467075
N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide
CID 105360659
4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 114760533
2-cyclopentyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 114760691

Frequently Asked Questions

What is the IUPAC name of 3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol (CID 105452360) is 3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol is OC1(CNC2CCNCC2)CCNC1.
What is the InChIKey of 3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol?
The InChIKey is BDHWJAYYMWZTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c14-10(3-6-12-7-10)8-13-9-1-4-11-5-2-9/h9,11-14H,1-8H2.
What are the key properties of 3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol?
3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol has a molecular weight of 199.30 g/mol, XLogP of -0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 105452360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).