N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine

C16H26N4O — CID 106820532

IUPACN-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine
SMILESNCC1(NN2CCOCC2)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c17-14-16(18-20-10-12-21-13-11-20)6-8-19(9-7-16)15-4-2-1-3-5-15/h1-5,18H,6-14,17H2
InChIKeyXVNZKFUAFVETDR-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.82
Rot. Bonds4

About N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine

N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine (PubChem CID 106820532) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine
PubChem CID106820532
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine
SMILESNCC1(NN2CCOCC2)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c17-14-16(18-20-10-12-21-13-11-20)6-8-19(9-7-16)15-4-2-1-3-5-15/h1-5,18H,6-14,17H2
InChIKeyXVNZKFUAFVETDR-UHFFFAOYSA-N
XLogP0.82
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine?
The IUPAC name of N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine (CID 106820532) is N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine is NCC1(NN2CCOCC2)CCN(c2ccccc2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine?
The InChIKey is XVNZKFUAFVETDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c17-14-16(18-20-10-12-21-13-11-20)6-8-19(9-7-16)15-4-2-1-3-5-15/h1-5,18H,6-14,17H2.
What are the key properties of N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine?
N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-phenylpiperidin-4-yl]morpholin-4-amine is sourced from PubChem (CID 106820532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).