N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine

C21H35N3O — CID 97230593

IUPACN-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1
InChIInChI=1S/C21H35N3O/c1-3-9-23-10-7-21(8-11-23)22-15-19-5-4-6-20(14-19)17-24-12-13-25-18(2)16-24/h4-6,14,18,21-22H,3,7-13,15-17H2,1-2H3/t18-/m1/s1
InChIKeyIYDMQPMIYXIYKN-GOSISDBHSA-N
MW345.53 g/mol
LogP2.87
Rot. Bonds7

About N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine

N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine (PubChem CID 97230593) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine
PubChem CID97230593
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC NameN-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1
InChIInChI=1S/C21H35N3O/c1-3-9-23-10-7-21(8-11-23)22-15-19-5-4-6-20(14-19)17-24-12-13-25-18(2)16-24/h4-6,14,18,21-22H,3,7-13,15-17H2,1-2H3/t18-/m1/s1
InChIKeyIYDMQPMIYXIYKN-GOSISDBHSA-N
XLogP2.87
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
(Z)-2-methyl-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]pent-2-enamide
CID 94820446
1-cyclopentyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]methanesulfonamide
CID 127491738
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119864301
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62974101
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-pentylguanidine
CID 111129365
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111082865
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539708
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(3-methylphenyl)methyl]guanidine
CID 111900889
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine (CID 97230593) is N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1.
What is the InChIKey of N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine?
The InChIKey is IYDMQPMIYXIYKN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H35N3O/c1-3-9-23-10-7-21(8-11-23)22-15-19-5-4-6-20(14-19)17-24-12-13-25-18(2)16-24/h4-6,14,18,21-22H,3,7-13,15-17H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine?
N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine has a molecular weight of 345.53 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 97230593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).