(3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol

C10H21N3O — CID 131114315

IUPAC(3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](CNC2CCCNC2)C1
InChIInChI=1S/C10H21N3O/c14-10-4-9(13-7-10)6-12-8-2-1-3-11-5-8/h8-14H,1-7H2/t8?,9-,10+/m0/s1
InChIKeyVLIWDVHNPIZOGV-CBMCFHRWSA-N
MW199.30 g/mol
LogP-0.95
Rot. Bonds3

About (3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol

(3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol (PubChem CID 131114315) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol
PubChem CID131114315
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](CNC2CCCNC2)C1
InChIInChI=1S/C10H21N3O/c14-10-4-9(13-7-10)6-12-8-2-1-3-11-5-8/h8-14H,1-7H2/t8?,9-,10+/m0/s1
InChIKeyVLIWDVHNPIZOGV-CBMCFHRWSA-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

N-ethylpiperidin-3-amine
CID 21278340
3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol
CID 106638717
N-[(4-methylcyclohexyl)methyl]piperidin-3-amine
CID 63243171
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102
1-[2-(piperidin-3-ylamino)ethyl]cyclopropan-1-ol
CID 84659731
5-(propylaminomethyl)pyrrolidin-3-ol
CID 66056154
N-[(4-methoxypyrrolidin-2-yl)methyl]cyclohexanamine
CID 61214386
3-[2-(piperidin-3-ylamino)ethylsulfanyl]propan-1-ol
CID 106309561
N-(cyclopropylmethyl)pyrrolidin-3-amine
CID 53350336
5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol
CID 66056750
2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol
CID 114756019
2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
CID 103982373

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol (CID 131114315) is (3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol is O[C@H]1CN[C@H](CNC2CCCNC2)C1.
What is the InChIKey of (3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol?
The InChIKey is VLIWDVHNPIZOGV-CBMCFHRWSA-N. The full InChI is InChI=1S/C10H21N3O/c14-10-4-9(13-7-10)6-12-8-2-1-3-11-5-8/h8-14H,1-7H2/t8?,9-,10+/m0/s1.
What are the key properties of (3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol?
(3R,5S)-5-[(piperidin-3-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 (3R,5S)-5-[(piperidin-3-ylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 131114315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).