1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea

C10H22N4O2 — CID 89495142

IUPAC1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea
SMILESCNC(=O)N[C@@H]1CCCN(CC(O)CN)C1
InChIInChI=1S/C10H22N4O2/c1-12-10(16)13-8-3-2-4-14(6-8)7-9(15)5-11/h8-9,15H,2-7,11H2,1H3,(H2,12,13,16)/t8-,9?/m1/s1
InChIKeyPAYJJTYXMMENAB-VEDVMXKPSA-N
MW230.31 g/mol
LogP-1.30
Rot. Bonds4

About 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea

1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea (PubChem CID 89495142) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea.

Molecular Properties

Compound Name1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea
PubChem CID89495142
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea
SMILESCNC(=O)N[C@@H]1CCCN(CC(O)CN)C1
InChIInChI=1S/C10H22N4O2/c1-12-10(16)13-8-3-2-4-14(6-8)7-9(15)5-11/h8-9,15H,2-7,11H2,1H3,(H2,12,13,16)/t8-,9?/m1/s1
InChIKeyPAYJJTYXMMENAB-VEDVMXKPSA-N
XLogP-1.30
TPSA90.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea?
The IUPAC name of 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea (CID 89495142) is 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea.
What is the SMILES notation for 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea?
The canonical SMILES for 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea is CNC(=O)N[C@@H]1CCCN(CC(O)CN)C1.
What is the InChIKey of 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea?
The InChIKey is PAYJJTYXMMENAB-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-12-10(16)13-8-3-2-4-14(6-8)7-9(15)5-11/h8-9,15H,2-7,11H2,1H3,(H2,12,13,16)/t8-,9?/m1/s1.
What are the key properties of 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea?
1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea has a molecular weight of 230.31 g/mol, XLogP of -1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea is sourced from PubChem (CID 89495142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).