4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol

C12H25N3O — CID 126846044

IUPAC4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol
SMILESCCN(CC1(O)CCNCC1)C1CCNC1
InChIInChI=1S/C12H25N3O/c1-2-15(11-3-6-14-9-11)10-12(16)4-7-13-8-5-12/h11,13-14,16H,2-10H2,1H3
InChIKeyJXYVBRPRSGGHQV-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.22
Rot. Bonds4

About 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol

4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol (PubChem CID 126846044) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol
PubChem CID126846044
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol
SMILESCCN(CC1(O)CCNCC1)C1CCNC1
InChIInChI=1S/C12H25N3O/c1-2-15(11-3-6-14-9-11)10-12(16)4-7-13-8-5-12/h11,13-14,16H,2-10H2,1H3
InChIKeyJXYVBRPRSGGHQV-UHFFFAOYSA-N
XLogP-0.22
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
1-[[2-hydroxyethyl(pyrrolidin-3-yl)amino]methyl]cyclopentan-1-ol
CID 126846014
4-[[azetidin-3-yl(methyl)amino]methyl]piperidin-4-ol
CID 126846975
2-[ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602
4-[[azetidin-3-yl(2-hydroxyethyl)amino]methyl]piperidin-4-ol
CID 126846974
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]piperidin-4-ol
CID 55160518
[ethyl(piperidin-4-yl)amino]methanol
CID 176656456
N-ethyl-N-(2-ethylsulfonylethyl)pyrrolidin-3-amine
CID 63299823
N-(2-ethoxyethyl)-N-ethylpyrrolidin-3-amine
CID 63300351
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol (CID 126846044) is 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol is CCN(CC1(O)CCNCC1)C1CCNC1.
What is the InChIKey of 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol?
The InChIKey is JXYVBRPRSGGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-15(11-3-6-14-9-11)10-12(16)4-7-13-8-5-12/h11,13-14,16H,2-10H2,1H3.
What are the key properties of 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol?
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol has a molecular weight of 227.35 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 126846044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).