(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride

C18H37Cl3N4O2 — CID 23540155

IUPAC(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H34N4O2.3ClH/c1-20-6-2-15(3-7-20)16-4-8-22(9-5-16)18(23)17(19)14-21-10-12-24-13-11-21;;;/h15-17H,2-14,19H2,1H3;3*1H/t17-;;;/m1.../s1
InChIKeyAVOJBKTUTLZXQE-NMRXSTGRSA-N
MW447.88 g/mol
LogP1.49
Rot. Bonds4

About (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride (PubChem CID 23540155) has the molecular formula C18H37Cl3N4O2 and a molecular weight of 447.88 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride
PubChem CID23540155
Molecular FormulaC18H37Cl3N4O2
Molecular Weight447.88 g/mol
Exact Mass446.20
IUPAC Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H34N4O2.3ClH/c1-20-6-2-15(3-7-20)16-4-8-22(9-5-16)18(23)17(19)14-21-10-12-24-13-11-21;;;/h15-17H,2-14,19H2,1H3;3*1H/t17-;;;/m1.../s1
InChIKeyAVOJBKTUTLZXQE-NMRXSTGRSA-N
XLogP1.49
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.88
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride (CID 23540155) is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride is CN1CCC(C2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1.Cl.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride?
The InChIKey is AVOJBKTUTLZXQE-NMRXSTGRSA-N. The full InChI is InChI=1S/C18H34N4O2.3ClH/c1-20-6-2-15(3-7-20)16-4-8-22(9-5-16)18(23)17(19)14-21-10-12-24-13-11-21;;;/h15-17H,2-14,19H2,1H3;3*1H/t17-;;;/m1.../s1.
What are the key properties of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride?
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride has a molecular weight of 447.88 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;trihydrochloride is sourced from PubChem (CID 23540155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).