5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol

C14H30N4O — CID 82892577

IUPAC5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCN1CCN(C)CC1
InChIInChI=1S/C14H30N4O/c1-15(2)11-13-10-14(19)12-18(13)9-8-17-6-4-16(3)5-7-17/h13-14,19H,4-12H2,1-3H3
InChIKeyCYSIBLOTWWWCPC-UHFFFAOYSA-N
MW270.42 g/mol
LogP-0.77
Rot. Bonds5

About 5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol (PubChem CID 82892577) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
PubChem CID82892577
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCN1CCN(C)CC1
InChIInChI=1S/C14H30N4O/c1-15(2)11-13-10-14(19)12-18(13)9-8-17-6-4-16(3)5-7-17/h13-14,19H,4-12H2,1-3H3
InChIKeyCYSIBLOTWWWCPC-UHFFFAOYSA-N
XLogP-0.77
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056646
1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 66053218
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960
5-[(dimethylamino)methyl]-1-pent-4-enylpyrrolidin-3-ol
CID 66051859
5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 66053792
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanethioamide
CID 66055213
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one
CID 106801504
1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040
potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
CID 66052358
1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054174
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanehydrazide
CID 66051201
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 66052045

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol (CID 82892577) is 5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CCN1CCN(C)CC1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is CYSIBLOTWWWCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-15(2)11-13-10-14(19)12-18(13)9-8-17-6-4-16(3)5-7-17/h13-14,19H,4-12H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 270.42 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 82892577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).