(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol

C10H22N2O2 — CID 70949431

IUPAC(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol
SMILESCOCCCN1CC[C@@H](CN)C(O)C1
InChIInChI=1S/C10H22N2O2/c1-14-6-2-4-12-5-3-9(7-11)10(13)8-12/h9-10,13H,2-8,11H2,1H3/t9-,10?/m0/s1
InChIKeyQOQDPKUFRNVBOG-RGURZIINSA-N
MW202.30 g/mol
LogP-0.34
Rot. Bonds5

About (4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol

(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol (PubChem CID 70949431) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol.

Molecular Properties

Compound Name(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol
PubChem CID70949431
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol
SMILESCOCCCN1CC[C@@H](CN)C(O)C1
InChIInChI=1S/C10H22N2O2/c1-14-6-2-4-12-5-3-9(7-11)10(13)8-12/h9-10,13H,2-8,11H2,1H3/t9-,10?/m0/s1
InChIKeyQOQDPKUFRNVBOG-RGURZIINSA-N
XLogP-0.34
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methoxypropyl)piperidin-3-ol?
The IUPAC name of (4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol (CID 70949431) is (4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol.
What is the SMILES notation for (4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol?
The canonical SMILES for (4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol is COCCCN1CC[C@@H](CN)C(O)C1.
What is the InChIKey of (4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol?
The InChIKey is QOQDPKUFRNVBOG-RGURZIINSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-14-6-2-4-12-5-3-9(7-11)10(13)8-12/h9-10,13H,2-8,11H2,1H3/t9-,10?/m0/s1.
What are the key properties of (4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol?
(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol has a molecular weight of 202.30 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol is sourced from PubChem (CID 70949431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).