4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol

C9H20N2O2 — CID 76695388

IUPAC4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol
SMILESNCC1CCN(CCCO)CC1O
InChIInChI=1S/C9H20N2O2/c10-6-8-2-4-11(3-1-5-12)7-9(8)13/h8-9,12-13H,1-7,10H2
InChIKeyPKBQRSMZAKWFHF-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.99
Rot. Bonds4

About 4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol

4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol (PubChem CID 76695388) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol
PubChem CID76695388
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol
SMILESNCC1CCN(CCCO)CC1O
InChIInChI=1S/C9H20N2O2/c10-6-8-2-4-11(3-1-5-12)7-9(8)13/h8-9,12-13H,1-7,10H2
InChIKeyPKBQRSMZAKWFHF-UHFFFAOYSA-N
XLogP-0.99
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol
CID 70949471
(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol
CID 70949431
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol
CID 131084208
6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103815424
1-pentylpiperidine-3,4-diol
CID 69410100
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983
(3R,4S)-1-(3-aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129497955
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol
CID 83846266
(3S,4R)-4-(hydroxymethyl)-1-(4-phenoxybutyl)piperidin-3-ol
CID 155510034
1-(3-hydroxypropyl)piperidine-3,4-dicarboxylic acid
CID 112568235

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol?
The IUPAC name of 4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol (CID 76695388) is 4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol?
The canonical SMILES for 4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol is NCC1CCN(CCCO)CC1O.
What is the InChIKey of 4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol?
The InChIKey is PKBQRSMZAKWFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c10-6-8-2-4-11(3-1-5-12)7-9(8)13/h8-9,12-13H,1-7,10H2.
What are the key properties of 4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol?
4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol has a molecular weight of 188.27 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol is sourced from PubChem (CID 76695388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).