(4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol

C10H22N2O3 — CID 70949471

IUPAC(4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol
SMILESNC[C@@H]1CCN(CCOCCO)CC1O
InChIInChI=1S/C10H22N2O3/c11-7-9-1-2-12(8-10(9)14)3-5-15-6-4-13/h9-10,13-14H,1-8,11H2/t9-,10?/m0/s1
InChIKeyRLRUQKMYVLGYHB-RGURZIINSA-N
MW218.30 g/mol
LogP-1.36
Rot. Bonds6

About (4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol

(4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol (PubChem CID 70949471) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is (4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name(4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol
PubChem CID70949471
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name(4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol
SMILESNC[C@@H]1CCN(CCOCCO)CC1O
InChIInChI=1S/C10H22N2O3/c11-7-9-1-2-12(8-10(9)14)3-5-15-6-4-13/h9-10,13-14H,1-8,11H2/t9-,10?/m0/s1
InChIKeyRLRUQKMYVLGYHB-RGURZIINSA-N
XLogP-1.36
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol?
The IUPAC name of (4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol (CID 70949471) is (4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol.
What is the SMILES notation for (4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol?
The canonical SMILES for (4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol is NC[C@@H]1CCN(CCOCCO)CC1O.
What is the InChIKey of (4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol?
The InChIKey is RLRUQKMYVLGYHB-RGURZIINSA-N. The full InChI is InChI=1S/C10H22N2O3/c11-7-9-1-2-12(8-10(9)14)3-5-15-6-4-13/h9-10,13-14H,1-8,11H2/t9-,10?/m0/s1.
What are the key properties of (4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol?
(4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol has a molecular weight of 218.30 g/mol, XLogP of -1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol is sourced from PubChem (CID 70949471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).